3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid

C15H10BrClN2O2 — CID 82774779

IUPAC3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H10BrClN2O2/c1-8-18-13-5-2-9(15(20)21)6-14(13)19(8)10-3-4-12(17)11(16)7-10/h2-7H,1H3,(H,20,21)
InChIKeyFPCOCHGSQNLMRH-UHFFFAOYSA-N
MW365.61 g/mol
LogP4.45
Rot. Bonds2

About 3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid

3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 82774779) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is 3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
PubChem CID82774779
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H10BrClN2O2/c1-8-18-13-5-2-9(15(20)21)6-14(13)19(8)10-3-4-12(17)11(16)7-10/h2-7H,1H3,(H,20,21)
InChIKeyFPCOCHGSQNLMRH-UHFFFAOYSA-N
XLogP4.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82770705
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-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82769925
3-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82770415
2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxylic acid
CID 158432940
1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43322761
3-(2-bromophenyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82769763
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
2-bromo-4-(2-methylbenzimidazol-1-yl)benzamide
CID 107282938
1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63549022

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid (CID 82774779) is 3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid is Cc1nc2ccc(C(=O)O)cc2n1-c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is FPCOCHGSQNLMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c1-8-18-13-5-2-9(15(20)21)6-14(13)19(8)10-3-4-12(17)11(16)7-10/h2-7H,1H3,(H,20,21).
What are the key properties of 3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 365.61 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-chlorophenyl)-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 82774779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).