4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid

C15H10Cl2N2O3 — CID 86292666

IUPAC4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Cn2cnc3c(Cl)cc(Cl)cc32)cc1O
InChIInChI=1S/C15H10Cl2N2O3/c16-9-4-11(17)14-12(5-9)19(7-18-14)6-8-1-2-10(15(21)22)13(20)3-8/h1-5,7,20H,6H2,(H,21,22)
InChIKeyMFNGISNOFOXUKB-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.80
Rot. Bonds3

About 4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid

4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid (PubChem CID 86292666) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid
PubChem CID86292666
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Cn2cnc3c(Cl)cc(Cl)cc32)cc1O
InChIInChI=1S/C15H10Cl2N2O3/c16-9-4-11(17)14-12(5-9)19(7-18-14)6-8-1-2-10(15(21)22)13(20)3-8/h1-5,7,20H,6H2,(H,21,22)
InChIKeyMFNGISNOFOXUKB-UHFFFAOYSA-N
XLogP3.80
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid
CID 86292470
1-[(3-methylphenyl)methyl]benzimidazole-4-carboxylic acid
CID 115543177
3-[(4-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 59172196
4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
CID 175278741
2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid
CID 134322867
6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one
CID 7628762
3-[(4-chlorophenyl)methyl]benzimidazole-4-carboxylic acid
CID 115932612
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
CID 69296468
5-[(4,5-dimethylimidazol-1-yl)methyl]-2-fluorobenzoic acid
CID 107880972
1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide
CID 142567283
4-[(5,6-dimethoxybenzimidazol-1-yl)methyl]benzoic acid
CID 94723431
1-[(4-boronophenyl)methyl]benzimidazole-5-carboxylic acid
CID 155710935

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid (CID 86292666) is 4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid is O=C(O)c1ccc(Cn2cnc3c(Cl)cc(Cl)cc32)cc1O.
What is the InChIKey of 4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid?
The InChIKey is MFNGISNOFOXUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c16-9-4-11(17)14-12(5-9)19(7-18-14)6-8-1-2-10(15(21)22)13(20)3-8/h1-5,7,20H,6H2,(H,21,22).
What are the key properties of 4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid?
4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid has a molecular weight of 337.16 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 86292666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).