4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid

C15H11N3O3 — CID 10755250

IUPAC4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(C(=O)O)cc3)nc12
InChIInChI=1S/C15H11N3O3/c16-13(19)10-2-1-3-11-12(10)18-14(17-11)8-4-6-9(7-5-8)15(20)21/h1-7H,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyUKWIDUMSXQQLKC-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.03
Rot. Bonds3

About 4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid

4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid (PubChem CID 10755250) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid
PubChem CID10755250
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(C(=O)O)cc3)nc12
InChIInChI=1S/C15H11N3O3/c16-13(19)10-2-1-3-11-12(10)18-14(17-11)8-4-6-9(7-5-8)15(20)21/h1-7H,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyUKWIDUMSXQQLKC-UHFFFAOYSA-N
XLogP2.03
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid?
The IUPAC name of 4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid (CID 10755250) is 4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid?
The canonical SMILES for 4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid is NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)O)cc3)nc12.
What is the InChIKey of 4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid?
The InChIKey is UKWIDUMSXQQLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-13(19)10-2-1-3-11-12(10)18-14(17-11)8-4-6-9(7-5-8)15(20)21/h1-7H,(H2,16,19)(H,17,18)(H,20,21).
What are the key properties of 4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid?
4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid has a molecular weight of 281.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoic acid is sourced from PubChem (CID 10755250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).