[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol

C21H18N2O — CID 90040837

IUPAC[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
SMILESOCc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C21H18N2O/c24-15-17-10-12-18(13-11-17)21-22-19-8-4-5-9-20(19)23(21)14-16-6-2-1-3-7-16/h1-13,24H,14-15H2
InChIKeyFAJRMFHPOBRHQO-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.24
Rot. Bonds4

About [4-(1-benzylbenzimidazol-2-yl)phenyl]methanol

[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol (PubChem CID 90040837) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is [4-(1-benzylbenzimidazol-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
PubChem CID90040837
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
SMILESOCc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C21H18N2O/c24-15-17-10-12-18(13-11-17)21-22-19-8-4-5-9-20(19)23(21)14-16-6-2-1-3-7-16/h1-13,24H,14-15H2
InChIKeyFAJRMFHPOBRHQO-UHFFFAOYSA-N
XLogP4.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
[4-(1-benzylbenzimidazol-2-yl)phenyl] prop-2-enoate
CID 90644534
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CID 39148129
2,4,6-tris(1-benzylbenzimidazol-2-yl)phenol
CID 139146415
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629103
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile
CID 134083964
[4-(1-benzylbenzimidazol-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
CID 110494122
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole
CID 141100454
[4-(1-benzylbenzimidazol-2-yl)phenyl] N-phenylcarbamate
CID 110494131

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylbenzimidazol-2-yl)phenyl]methanol?
The IUPAC name of [4-(1-benzylbenzimidazol-2-yl)phenyl]methanol (CID 90040837) is [4-(1-benzylbenzimidazol-2-yl)phenyl]methanol.
What is the SMILES notation for [4-(1-benzylbenzimidazol-2-yl)phenyl]methanol?
The canonical SMILES for [4-(1-benzylbenzimidazol-2-yl)phenyl]methanol is OCc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of [4-(1-benzylbenzimidazol-2-yl)phenyl]methanol?
The InChIKey is FAJRMFHPOBRHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c24-15-17-10-12-18(13-11-17)21-22-19-8-4-5-9-20(19)23(21)14-16-6-2-1-3-7-16/h1-13,24H,14-15H2.
What are the key properties of [4-(1-benzylbenzimidazol-2-yl)phenyl]methanol?
[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol has a molecular weight of 314.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylbenzimidazol-2-yl)phenyl]methanol is sourced from PubChem (CID 90040837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).