2-(benzimidazol-1-yl)-4-chlorobenzoic acid

C14H9ClN2O2 — CID 63082519

IUPAC2-(benzimidazol-1-yl)-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-n1cnc2ccccc21
InChIInChI=1S/C14H9ClN2O2/c15-9-5-6-10(14(18)19)13(7-9)17-8-16-11-3-1-2-4-12(11)17/h1-8H,(H,18,19)
InChIKeyYWQXTENZIDHHHJ-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.38
Rot. Bonds2

About 2-(benzimidazol-1-yl)-4-chlorobenzoic acid

2-(benzimidazol-1-yl)-4-chlorobenzoic acid (PubChem CID 63082519) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-4-chlorobenzoic acid
PubChem CID63082519
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name2-(benzimidazol-1-yl)-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-n1cnc2ccccc21
InChIInChI=1S/C14H9ClN2O2/c15-9-5-6-10(14(18)19)13(7-9)17-8-16-11-3-1-2-4-12(11)17/h1-8H,(H,18,19)
InChIKeyYWQXTENZIDHHHJ-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-4-chlorobenzoic acid?
The IUPAC name of 2-(benzimidazol-1-yl)-4-chlorobenzoic acid (CID 63082519) is 2-(benzimidazol-1-yl)-4-chlorobenzoic acid.
What is the SMILES notation for 2-(benzimidazol-1-yl)-4-chlorobenzoic acid?
The canonical SMILES for 2-(benzimidazol-1-yl)-4-chlorobenzoic acid is O=C(O)c1ccc(Cl)cc1-n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-4-chlorobenzoic acid?
The InChIKey is YWQXTENZIDHHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-9-5-6-10(14(18)19)13(7-9)17-8-16-11-3-1-2-4-12(11)17/h1-8H,(H,18,19).
What are the key properties of 2-(benzimidazol-1-yl)-4-chlorobenzoic acid?
2-(benzimidazol-1-yl)-4-chlorobenzoic acid has a molecular weight of 272.69 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-4-chlorobenzoic acid is sourced from PubChem (CID 63082519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).