2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid

C14H8Cl2N2O2 — CID 43349288

IUPAC2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3cccc(Cl)c3Cl)[nH]c2c1
InChIInChI=1S/C14H8Cl2N2O2/c15-9-3-1-2-8(12(9)16)13-17-10-5-4-7(14(19)20)6-11(10)18-13/h1-6H,(H,17,18)(H,19,20)
InChIKeySVYIGFUSILKGGR-UHFFFAOYSA-N
MW307.14 g/mol
LogP4.23
Rot. Bonds2

About 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid

2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 43349288) has the molecular formula C14H8Cl2N2O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID43349288
Molecular FormulaC14H8Cl2N2O2
Molecular Weight307.14 g/mol
Exact Mass306.00
IUPAC Name2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3cccc(Cl)c3Cl)[nH]c2c1
InChIInChI=1S/C14H8Cl2N2O2/c15-9-3-1-2-8(12(9)16)13-17-10-5-4-7(14(19)20)6-11(10)18-13/h1-6H,(H,17,18)(H,19,20)
InChIKeySVYIGFUSILKGGR-UHFFFAOYSA-N
XLogP4.23
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908144
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746
2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 11738240
2-(2-chlorophenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690291
2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370419
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 46990564
2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 156760820
prop-2-ynyl 2-(5-chloronaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
CID 91673783

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid (CID 43349288) is 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3cccc(Cl)c3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is SVYIGFUSILKGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2/c15-9-3-1-2-8(12(9)16)13-17-10-5-4-7(14(19)20)6-11(10)18-13/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid?
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 307.14 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 43349288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).