4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid

C14H10ClN3O2 — CID 24816798

IUPAC4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C14H10ClN3O2/c15-9-3-6-11-12(7-9)18-14(17-11)16-10-4-1-8(2-5-10)13(19)20/h1-7H,(H,19,20)(H2,16,17,18)
InChIKeyGXWRTNAHZRXBRO-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.66
Rot. Bonds3

About 4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid

4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid (PubChem CID 24816798) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid
PubChem CID24816798
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C14H10ClN3O2/c15-9-3-6-11-12(7-9)18-14(17-11)16-10-4-1-8(2-5-10)13(19)20/h1-7H,(H,19,20)(H2,16,17,18)
InChIKeyGXWRTNAHZRXBRO-UHFFFAOYSA-N
XLogP3.66
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid?
The IUPAC name of 4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid (CID 24816798) is 4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid?
The canonical SMILES for 4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid is O=C(O)c1ccc(Nc2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid?
The InChIKey is GXWRTNAHZRXBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-9-3-6-11-12(7-9)18-14(17-11)16-10-4-1-8(2-5-10)13(19)20/h1-7H,(H,19,20)(H2,16,17,18).
What are the key properties of 4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid?
4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid has a molecular weight of 287.71 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid is sourced from PubChem (CID 24816798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).