N-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide

C22H14ClN3OS — CID 4071550

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1sc2ccccc2c1Cl
InChIInChI=1S/C22H14ClN3OS/c23-19-15-8-1-4-11-18(15)28-20(19)22(27)24-14-7-5-6-13(12-14)21-25-16-9-2-3-10-17(16)26-21/h1-12H,(H,24,27)(H,25,26)
InChIKeyWIWMMJIZCLQTJR-UHFFFAOYSA-N
MW403.89 g/mol
LogP6.35
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide (PubChem CID 4071550) has the molecular formula C22H14ClN3OS and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
PubChem CID4071550
Molecular FormulaC22H14ClN3OS
Molecular Weight403.89 g/mol
Exact Mass403.05
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1sc2ccccc2c1Cl
InChIInChI=1S/C22H14ClN3OS/c23-19-15-8-1-4-11-18(15)28-20(19)22(27)24-14-7-5-6-13(12-14)21-25-16-9-2-3-10-17(16)26-21/h1-12H,(H,24,27)(H,25,26)
InChIKeyWIWMMJIZCLQTJR-UHFFFAOYSA-N
XLogP6.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.89
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide (CID 4071550) is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1sc2ccccc2c1Cl.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is WIWMMJIZCLQTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3OS/c23-19-15-8-1-4-11-18(15)28-20(19)22(27)24-14-7-5-6-13(12-14)21-25-16-9-2-3-10-17(16)26-21/h1-12H,(H,24,27)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 6.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 4071550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).