[3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol

C18H17ClN2O — CID 15099345

IUPAC[3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol
SMILESCc1ccc(-c2nc(Cl)c(CO)n2Cc2ccccc2)cc1
InChIInChI=1S/C18H17ClN2O/c1-13-7-9-15(10-8-13)18-20-17(19)16(12-22)21(18)11-14-5-3-2-4-6-14/h2-10,22H,11-12H2,1H3
InChIKeyYNLVMQCVQDKMBX-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.05
Rot. Bonds4

About [3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol

[3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol (PubChem CID 15099345) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is [3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol
PubChem CID15099345
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name[3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol
SMILESCc1ccc(-c2nc(Cl)c(CO)n2Cc2ccccc2)cc1
InChIInChI=1S/C18H17ClN2O/c1-13-7-9-15(10-8-13)18-20-17(19)16(12-22)21(18)11-14-5-3-2-4-6-14/h2-10,22H,11-12H2,1H3
InChIKeyYNLVMQCVQDKMBX-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole
CID 45112125
[3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol
CID 13074103
[5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol
CID 15099361
2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile
CID 15099388
2-[2-(4-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid
CID 13075859
2-[3-benzyl-5-chloro-2-(4-fluorophenyl)imidazol-4-yl]acetonitrile
CID 139725996
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
N-[4-[1-benzyl-4-chloro-5-(cyanomethyl)imidazol-2-yl]phenyl]butanamide
CID 13075835
5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one
CID 53191834
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
CID 90040837
3-benzyl-2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-one
CID 91912057

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol?
The IUPAC name of [3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol (CID 15099345) is [3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol?
The canonical SMILES for [3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol is Cc1ccc(-c2nc(Cl)c(CO)n2Cc2ccccc2)cc1.
What is the InChIKey of [3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol?
The InChIKey is YNLVMQCVQDKMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-13-7-9-15(10-8-13)18-20-17(19)16(12-22)21(18)11-14-5-3-2-4-6-14/h2-10,22H,11-12H2,1H3.
What are the key properties of [3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol?
[3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol has a molecular weight of 312.80 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol is sourced from PubChem (CID 15099345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).