3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid

C21H15ClN2O3 — CID 166873730

IUPAC3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2c1
InChIInChI=1S/C21H15ClN2O3/c22-16-4-1-14(2-5-16)12-27-18-8-6-17(7-9-18)24-13-23-19-10-3-15(21(25)26)11-20(19)24/h1-11,13H,12H2,(H,25,26)
InChIKeyBNKSAPVBJVRTHI-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.96
Rot. Bonds5

About 3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid

3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid (PubChem CID 166873730) has the molecular formula C21H15ClN2O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is 3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
PubChem CID166873730
Molecular FormulaC21H15ClN2O3
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC Name3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2c1
InChIInChI=1S/C21H15ClN2O3/c22-16-4-1-14(2-5-16)12-27-18-8-6-17(7-9-18)24-13-23-19-10-3-15(21(25)26)11-20(19)24/h1-11,13H,12H2,(H,25,26)
InChIKeyBNKSAPVBJVRTHI-UHFFFAOYSA-N
XLogP4.96
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide
CID 170106123
3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide
CID 169024525
3-[(4-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 59172196
3-[2-(4-chlorophenyl)ethyl]benzimidazole-5-carboxylic acid
CID 82769086
3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid
CID 66550615
3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790998
3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide
CID 139000111
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 22694157
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid (CID 166873730) is 3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2ncn(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2c1.
What is the InChIKey of 3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The InChIKey is BNKSAPVBJVRTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3/c22-16-4-1-14(2-5-16)12-27-18-8-6-17(7-9-18)24-13-23-19-10-3-15(21(25)26)11-20(19)24/h1-11,13H,12H2,(H,25,26).
What are the key properties of 3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid has a molecular weight of 378.82 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 166873730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).