N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide

C18H13N3OS — CID 43029730

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccsc1
InChIInChI=1S/C18H13N3OS/c22-18(13-9-10-23-11-13)19-14-7-5-12(6-8-14)17-20-15-3-1-2-4-16(15)21-17/h1-11H,(H,19,22)(H,20,21)
InChIKeyCDFQFQOIQNUTGV-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.54
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide (PubChem CID 43029730) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
PubChem CID43029730
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccsc1
InChIInChI=1S/C18H13N3OS/c22-18(13-9-10-23-11-13)19-14-7-5-12(6-8-14)17-20-15-3-1-2-4-16(15)21-17/h1-11H,(H,19,22)(H,20,21)
InChIKeyCDFQFQOIQNUTGV-UHFFFAOYSA-N
XLogP4.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
CID 20695064
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
CID 44525400
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
CID 3584641
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26264601
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide
CID 1348553
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008213
1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea
CID 2393320
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 42110942
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide (CID 43029730) is N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccsc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is CDFQFQOIQNUTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c22-18(13-9-10-23-11-13)19-14-7-5-12(6-8-14)17-20-15-3-1-2-4-16(15)21-17/h1-11H,(H,19,22)(H,20,21).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 43029730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).