[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol

C22H19ClN2O2 — CID 2850295

IUPAC[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O2/c1-27-18-12-8-16(9-13-18)21(26)22-24-19-4-2-3-5-20(19)25(22)14-15-6-10-17(23)11-7-15/h2-13,21,26H,14H2,1H3
InChIKeyPAKGUAHMFYICHS-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.83
Rot. Bonds5

About [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol

[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol (PubChem CID 2850295) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol
PubChem CID2850295
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O2/c1-27-18-12-8-16(9-13-18)21(26)22-24-19-4-2-3-5-20(19)25(22)14-15-6-10-17(23)11-7-15/h2-13,21,26H,14H2,1H3
InChIKeyPAKGUAHMFYICHS-UHFFFAOYSA-N
XLogP4.83
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678
(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 914008
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol
CID 7316264
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586
1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811190
(1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol
CID 40871585
(S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349776
(R)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349779
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46731944

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol?
The IUPAC name of [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol (CID 2850295) is [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol?
The InChIKey is PAKGUAHMFYICHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-27-18-12-8-16(9-13-18)21(26)22-24-19-4-2-3-5-20(19)25(22)14-15-6-10-17(23)11-7-15/h2-13,21,26H,14H2,1H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol?
[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol has a molecular weight of 378.86 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 2850295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).