[2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride

C12H14Cl2N2O — CID 22563322

IUPAC[2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride
SMILESCc1ccc(-c2nc(CO)c(C)[nH]2)cc1Cl.Cl
InChIInChI=1S/C12H13ClN2O.ClH/c1-7-3-4-9(5-10(7)13)12-14-8(2)11(6-16)15-12;/h3-5,16H,6H2,1-2H3,(H,14,15);1H
InChIKeyOPCYYFDERBISMA-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.26
Rot. Bonds2

About [2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride

[2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride (PubChem CID 22563322) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is [2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride
PubChem CID22563322
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name[2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride
SMILESCc1ccc(-c2nc(CO)c(C)[nH]2)cc1Cl.Cl
InChIInChI=1S/C12H13ClN2O.ClH/c1-7-3-4-9(5-10(7)13)12-14-8(2)11(6-16)15-12;/h3-5,16H,6H2,1-2H3,(H,14,15);1H
InChIKeyOPCYYFDERBISMA-UHFFFAOYSA-N
XLogP3.26
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride?
The IUPAC name of [2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride (CID 22563322) is [2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride.
What is the SMILES notation for [2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride?
The canonical SMILES for [2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride is Cc1ccc(-c2nc(CO)c(C)[nH]2)cc1Cl.Cl.
What is the InChIKey of [2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride?
The InChIKey is OPCYYFDERBISMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O.ClH/c1-7-3-4-9(5-10(7)13)12-14-8(2)11(6-16)15-12;/h3-5,16H,6H2,1-2H3,(H,14,15);1H.
What are the key properties of [2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride?
[2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride has a molecular weight of 273.16 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride is sourced from PubChem (CID 22563322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).