3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid

C15H10Cl2N2O2 — CID 82770705

IUPAC3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O2/c1-8-18-13-5-2-9(15(20)21)6-14(13)19(8)10-3-4-11(16)12(17)7-10/h2-7H,1H3,(H,20,21)
InChIKeyWKNISKZAPCTOHJ-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.34
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid

3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 82770705) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
PubChem CID82770705
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O2/c1-8-18-13-5-2-9(15(20)21)6-14(13)19(8)10-3-4-11(16)12(17)7-10/h2-7H,1H3,(H,20,21)
InChIKeyWKNISKZAPCTOHJ-UHFFFAOYSA-N
XLogP4.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82774779
3-(4-bromophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82791461
1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 61470338
3-(2-chloro-4-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 107607370
3-(3,4-dichlorophenyl)benzotriazole-5-carboxylic acid
CID 82784404
3-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82770415
3-(3-chloro-4-methylphenyl)benzotriazole-5-carboxylic acid
CID 82783923
2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxylic acid
CID 158432940
1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43322761
3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82769925
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
3-(3-hydroxycyclobutyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82790564

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid (CID 82770705) is 3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid is Cc1nc2ccc(C(=O)O)cc2n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is WKNISKZAPCTOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-8-18-13-5-2-9(15(20)21)6-14(13)19(8)10-3-4-11(16)12(17)7-10/h2-7H,1H3,(H,20,21).
What are the key properties of 3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 321.16 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 82770705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).