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

C23H22N2O3 — CID 1349776

IUPAC(S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
SMILESCOc1cccc([C@H](O)c2nc3ccccc3n2Cc2ccccc2)c1OC
InChIInChI=1S/C23H22N2O3/c1-27-20-14-8-11-17(22(20)28-2)21(26)23-24-18-12-6-7-13-19(18)25(23)15-16-9-4-3-5-10-16/h3-14,21,26H,15H2,1-2H3/t21-/m0/s1
InChIKeyLDSQIODSULNOFO-NRFANRHFSA-N
MW374.44 g/mol
LogP4.18
Rot. Bonds6

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

(S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol (PubChem CID 1349776) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
PubChem CID1349776
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
SMILESCOc1cccc([C@H](O)c2nc3ccccc3n2Cc2ccccc2)c1OC
InChIInChI=1S/C23H22N2O3/c1-27-20-14-8-11-17(22(20)28-2)21(26)23-24-18-12-6-7-13-19(18)25(23)15-16-9-4-3-5-10-16/h3-14,21,26H,15H2,1-2H3/t21-/m0/s1
InChIKeyLDSQIODSULNOFO-NRFANRHFSA-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

(R)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349779
(2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 2870450
(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678
(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol
CID 7316264
(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 3786297
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol
CID 2850295
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 680857

Frequently Asked Questions

What is the IUPAC name of (S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol?
The IUPAC name of (S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol (CID 1349776) is (S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol.
What is the SMILES notation for (S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol?
The canonical SMILES for (S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol is COc1cccc([C@H](O)c2nc3ccccc3n2Cc2ccccc2)c1OC.
What is the InChIKey of (S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol?
The InChIKey is LDSQIODSULNOFO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-27-20-14-8-11-17(22(20)28-2)21(26)23-24-18-12-6-7-13-19(18)25(23)15-16-9-4-3-5-10-16/h3-14,21,26H,15H2,1-2H3/t21-/m0/s1.
What are the key properties of (S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol?
(S)-(1-benzylbenzimidazol-2-yl)-(2,3-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)-(2,3-dimethoxyphenyl)methanol is sourced from PubChem (CID 1349776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).