CAS 38585-62-5|(4-methyl-1H-imidazol-5-yl)methanol hydrochloride|5-(Hydroxymethyl)-4-methyl-1H-imidazole hydrochloride|(4-Methyl-1H-imidazol-5-yl)methanol hydrochloride|(5-methyl-3H-imidazol-4-yl)me...

General Information

Structure

Molecular Formula

C₅H₉ClN₂O

Molecular Mass

148.59076

Exact Mass

148.0403406

Charge

InChI

InChI=1S/C5H8N2O.ClH/c1-4-5(2-8)7-3-6-4;/h3,8H,2H2,1H3,(H,6,7);1H

InChIKey

UBHDUFNPQJWPRQ-UHFFFAOYSA-N

Canonic Smiles

Cc1nc[nH]c1CO.Cl

Isomeric Smiles

c1(c(nc[nH]1)C)CO.Cl

Calculated Properties

JChem

Acid pKa

13.722291

H Acceptors

H Donor

LogD (pH = 5.5)

-1.565053

LogD (pH = 7.4)

-0.8958958

Log P

-0.86120266

Molar Refractivity

30.2977

Polarizability

11.383269

Polar Surface Area

48.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(4-Methyl-1H-imidazol-5-yl)methanol hydrochloride5-(Hydroxymethyl)-4-methyl-1H-imidazole hydrochloride4-Methyl-5-imidazolemethanol hydrochloride4-甲基-5-羟甲基咪唑盐酸盐(5-methyl-1H-imidazol-4-yl)methanol hydrochloride5-Hydroxymethyl-4-methylimidazole hydrochloride(4-methyl-1H-imidazol-5-yl)methanol hydrochloride4-methyl-5-imidazolemethanol hydrochloride

IUPAC name

(4-methyl-1H-imidazol-5-yl)methanol hydrochloride (5-methyl-1H-imidazol-4-yl)methanol hydrochloride

IUPAC Traditional name

(5-methyl-3H-imidazol-4-yl)methanol hydrochloride (5-methyl-1H-imidazol-4-yl)methanol hydrochloride

Names and Identifiers

Registration numbers

MDL Number

MFCD00012696MFCD00040986

CAS Number

38585-62-5

PubChem SID

24853630162030048