3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid

C15H10Cl2N2O2 — CID 104727768

IUPAC3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid
SMILESCc1cc(Cl)c(-n2cnc3ccc(C(=O)O)cc32)cc1Cl
InChIInChI=1S/C15H10Cl2N2O2/c1-8-4-11(17)13(6-10(8)16)19-7-18-12-3-2-9(15(20)21)5-14(12)19/h2-7H,1H3,(H,20,21)
InChIKeyUVJZVKJBIBFUOA-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.34
Rot. Bonds2

About 3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid

3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid (PubChem CID 104727768) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid
PubChem CID104727768
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid
SMILESCc1cc(Cl)c(-n2cnc3ccc(C(=O)O)cc32)cc1Cl
InChIInChI=1S/C15H10Cl2N2O2/c1-8-4-11(17)13(6-10(8)16)19-7-18-12-3-2-9(15(20)21)5-14(12)19/h2-7H,1H3,(H,20,21)
InChIKeyUVJZVKJBIBFUOA-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-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid
CID 82790901
3-(2-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790606
3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790998
3-(4-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790830
3-(3-chlorophenyl)benzimidazole-5-carboxylic acid
CID 82790283
3-(4-methoxy-1H-pyrrol-3-yl)benzimidazole-5-carboxylic acid
CID 176893020
3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid
CID 82774507
3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid
CID 107464233
3-(3-bromo-5-methylphenyl)benzimidazole-5-carboxylic acid
CID 107576704
3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790695
3-[3-chloro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]benzimidazole-5-carboxylic acid
CID 121399312
methyl 3-[2-chloro-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxylate
CID 68663445

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid (CID 104727768) is 3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid is Cc1cc(Cl)c(-n2cnc3ccc(C(=O)O)cc32)cc1Cl.
What is the InChIKey of 3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid?
The InChIKey is UVJZVKJBIBFUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-8-4-11(17)13(6-10(8)16)19-7-18-12-3-2-9(15(20)21)5-14(12)19/h2-7H,1H3,(H,20,21).
What are the key properties of 3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid?
3-(2,5-dichloro-4-methylphenyl)benzimidazole-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-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 104727768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).