(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol

C22H20N2O2 — CID 867678

IUPAC(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@H](O)c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-26-18-13-11-17(12-14-18)21(25)22-23-19-9-5-6-10-20(19)24(22)15-16-7-3-2-4-8-16/h2-14,21,25H,15H2,1H3/t21-/m0/s1
InChIKeyFGRMHATUCKBIJV-NRFANRHFSA-N
MW344.41 g/mol
LogP4.17
Rot. Bonds5

About (S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol

(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol (PubChem CID 867678) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
PubChem CID867678
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@H](O)c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-26-18-13-11-17(12-14-18)21(25)22-23-19-9-5-6-10-20(19)24(22)15-16-7-3-2-4-8-16/h2-14,21,25H,15H2,1H3/t21-/m0/s1
InChIKeyFGRMHATUCKBIJV-NRFANRHFSA-N
XLogP4.17
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol
CID 2850295
(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol
CID 7316264
(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 914008
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811190
(S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349776
(R)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349779
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995132
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373

Frequently Asked Questions

What is the IUPAC name of (S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol?
The IUPAC name of (S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol (CID 867678) is (S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol.
What is the SMILES notation for (S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol?
The canonical SMILES for (S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol is COc1ccc([C@H](O)c2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of (S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol?
The InChIKey is FGRMHATUCKBIJV-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-26-18-13-11-17(12-14-18)21(25)22-23-19-9-5-6-10-20(19)24(22)15-16-7-3-2-4-8-16/h2-14,21,25H,15H2,1H3/t21-/m0/s1.
What are the key properties of (S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol?
(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol has a molecular weight of 344.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol is sourced from PubChem (CID 867678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).