(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol

C23H22N2O3 — CID 7316264

IUPAC(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc([C@H](O)c2nc3ccccc3n2Cc2ccccc2)cc1OC
InChIInChI=1S/C23H22N2O3/c1-27-20-13-12-17(14-21(20)28-2)22(26)23-24-18-10-6-7-11-19(18)25(23)15-16-8-4-3-5-9-16/h3-14,22,26H,15H2,1-2H3/t22-/m0/s1
InChIKeyCQXZZCARJGFINP-QFIPXVFZSA-N
MW374.44 g/mol
LogP4.18
Rot. Bonds6

About (S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol

(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol (PubChem CID 7316264) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol
PubChem CID7316264
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc([C@H](O)c2nc3ccccc3n2Cc2ccccc2)cc1OC
InChIInChI=1S/C23H22N2O3/c1-27-20-13-12-17(14-21(20)28-2)22(26)23-24-18-10-6-7-11-19(18)25(23)15-16-8-4-3-5-9-16/h3-14,22,26H,15H2,1-2H3/t22-/m0/s1
InChIKeyCQXZZCARJGFINP-QFIPXVFZSA-N
XLogP4.18
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol
CID 2850295
1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 3835157
(R)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349779
(S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349776
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995122
(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 914008
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol
CID 2959653

Frequently Asked Questions

What is the IUPAC name of (S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol?
The IUPAC name of (S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol (CID 7316264) is (S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol?
The canonical SMILES for (S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol is COc1ccc([C@H](O)c2nc3ccccc3n2Cc2ccccc2)cc1OC.
What is the InChIKey of (S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol?
The InChIKey is CQXZZCARJGFINP-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-27-20-13-12-17(14-21(20)28-2)22(26)23-24-18-10-6-7-11-19(18)25(23)15-16-8-4-3-5-9-16/h3-14,22,26H,15H2,1-2H3/t22-/m0/s1.
What are the key properties of (S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol?
(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol has a molecular weight of 374.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 7316264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).