(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol

C22H20N2O — CID 972889

IUPAC(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
SMILESCc1cccc(Cn2c([C@@H](O)c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C22H20N2O/c1-16-8-7-9-17(14-16)15-24-20-13-6-5-12-19(20)23-22(24)21(25)18-10-3-2-4-11-18/h2-14,21,25H,15H2,1H3/t21-/m0/s1
InChIKeyJJCXZKVCFIKTCO-NRFANRHFSA-N
MW328.42 g/mol
LogP4.47
Rot. Bonds4

About (S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol

(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol (PubChem CID 972889) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
PubChem CID972889
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
SMILESCc1cccc(Cn2c([C@@H](O)c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C22H20N2O/c1-16-8-7-9-17(14-16)15-24-20-13-6-5-12-19(20)23-22(24)21(25)18-10-3-2-4-11-18/h2-14,21,25H,15H2,1H3/t21-/m0/s1
InChIKeyJJCXZKVCFIKTCO-NRFANRHFSA-N
XLogP4.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol
CID 2959653
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678
N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972530
(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol
CID 7316264
1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole
CID 18878014
1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7025660
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943
(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
CID 762121
N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366479
(R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 7305937
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782

Frequently Asked Questions

What is the IUPAC name of (S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol?
The IUPAC name of (S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol (CID 972889) is (S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol.
What is the SMILES notation for (S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol?
The canonical SMILES for (S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol is Cc1cccc(Cn2c([C@@H](O)c3ccccc3)nc3ccccc32)c1.
What is the InChIKey of (S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol?
The InChIKey is JJCXZKVCFIKTCO-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16-8-7-9-17(14-16)15-24-20-13-6-5-12-19(20)23-22(24)21(25)18-10-3-2-4-11-18/h2-14,21,25H,15H2,1H3/t21-/m0/s1.
What are the key properties of (S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol?
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol has a molecular weight of 328.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol is sourced from PubChem (CID 972889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).