N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide

C18H12ClN3OS — CID 6457189

IUPACN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccs1
InChIInChI=1S/C18H12ClN3OS/c19-12-8-7-11(17-20-13-4-1-2-5-14(13)21-17)10-15(12)22-18(23)16-6-3-9-24-16/h1-10H,(H,20,21)(H,22,23)
InChIKeyBMJMOBGOPQMHNH-UHFFFAOYSA-N
MW353.83 g/mol
LogP5.20
Rot. Bonds3

About N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide

N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide (PubChem CID 6457189) has the molecular formula C18H12ClN3OS and a molecular weight of 353.83 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide
PubChem CID6457189
Molecular FormulaC18H12ClN3OS
Molecular Weight353.83 g/mol
Exact Mass353.04
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccs1
InChIInChI=1S/C18H12ClN3OS/c19-12-8-7-11(17-20-13-4-1-2-5-14(13)21-17)10-15(12)22-18(23)16-6-3-9-24-16/h1-10H,(H,20,21)(H,22,23)
InChIKeyBMJMOBGOPQMHNH-UHFFFAOYSA-N
XLogP5.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.83
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide
CID 17116708
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2,2-trifluoroacetamide
CID 17334874
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide
CID 17100751
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 146052786
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2033052
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 2980690
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethylbenzamide
CID 22780202
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 17104325
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17114836
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-nitrobenzamide
CID 2977840
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-5-bromo-2-methoxybenzamide
CID 17114829

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide (CID 6457189) is N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide is O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccs1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide?
The InChIKey is BMJMOBGOPQMHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS/c19-12-8-7-11(17-20-13-4-1-2-5-14(13)21-17)10-15(12)22-18(23)16-6-3-9-24-16/h1-10H,(H,20,21)(H,22,23).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide?
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide has a molecular weight of 353.83 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide is sourced from PubChem (CID 6457189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).