(5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate

C13H8ClN3O2 — CID 156907347

IUPAC(5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cccc2[nH]cnc12
InChIInChI=1S/C13H8ClN3O2/c14-8-4-9(6-15-5-8)19-13(18)10-2-1-3-11-12(10)17-7-16-11/h1-7H,(H,16,17)
InChIKeyKZGNMLQRICBTQX-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.83
Rot. Bonds2

About (5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate

(5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate (PubChem CID 156907347) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate
PubChem CID156907347
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name(5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cccc2[nH]cnc12
InChIInChI=1S/C13H8ClN3O2/c14-8-4-9(6-15-5-8)19-13(18)10-2-1-3-11-12(10)17-7-16-11/h1-7H,(H,16,17)
InChIKeyKZGNMLQRICBTQX-UHFFFAOYSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloropyridin-3-yl 1H-indole-4-carboxylate
CID 25110701
Indole chloropyridinyl-ester derived, 7f
CID 156907343
Indole chloropyridinyl-ester derived, 7k
CID 156907348
Indole chloropyridinyl-ester derived, 9f
CID 156907355
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-methyl-1H-benzimidazole-4-carboxamide
CID 22663370
5-chloropyridin-3-yl 1H-indole-6-carboxylate
CID 44580739
Indole chloropyridinyl-ester derived, 9d
CID 156600306
Indole chloropyridinyl-ester derived, 9e
CID 156907354
5-chloropyridin-3-yl 1H-indole-7-carboxylate
CID 44580152
acs.jmedchem.1c00409_ST.425
CID 16203911
Indole chloropyridinyl-ester derived, 9c
CID 156907353
2-[3-(5-methoxy-3-pyridyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 71819279

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate (CID 156907347) is (5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate is O=C(Oc1cncc(Cl)c1)c1cccc2[nH]cnc12.
What is the InChIKey of (5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate?
The InChIKey is KZGNMLQRICBTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-8-4-9(6-15-5-8)19-13(18)10-2-1-3-11-12(10)17-7-16-11/h1-7H,(H,16,17).
What are the key properties of (5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate?
(5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate has a molecular weight of 273.68 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl) 1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 156907347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).