N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide

C23H16N4O2S2 — CID 20695064

IUPACN-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccc(NC(=O)c4cccs4)cc3)[nH]c2c1)c1ccsc1
InChIInChI=1S/C23H16N4O2S2/c28-22(15-9-11-30-13-15)25-17-7-8-18-19(12-17)27-21(26-18)14-3-5-16(6-4-14)24-23(29)20-2-1-10-31-20/h1-13H,(H,24,29)(H,25,28)(H,26,27)
InChIKeyKEMHECQWHNVGFS-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.86
Rot. Bonds5

About N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide

N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 20695064) has the molecular formula C23H16N4O2S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
PubChem CID20695064
Molecular FormulaC23H16N4O2S2
Molecular Weight444.54 g/mol
Exact Mass444.07
IUPAC NameN-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccc(NC(=O)c4cccs4)cc3)[nH]c2c1)c1ccsc1
InChIInChI=1S/C23H16N4O2S2/c28-22(15-9-11-30-13-15)25-17-7-8-18-19(12-17)27-21(26-18)14-3-5-16(6-4-14)24-23(29)20-2-1-10-31-20/h1-13H,(H,24,29)(H,25,28)(H,26,27)
InChIKeyKEMHECQWHNVGFS-UHFFFAOYSA-N
XLogP5.86
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide
CID 20694919
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730
3,4-dichloro-N-[2-[2-[(3,4-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide
CID 161341685
N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55863771
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;2,4-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide
CID 159948063
N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide
CID 159994356
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-4-methylbenzamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;2,4-dichloro-N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;2,6-dichloro-N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;4-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 159481984

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide (CID 20695064) is N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc2nc(-c3ccc(NC(=O)c4cccs4)cc3)[nH]c2c1)c1ccsc1.
What is the InChIKey of N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is KEMHECQWHNVGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2S2/c28-22(15-9-11-30-13-15)25-17-7-8-18-19(12-17)27-21(26-18)14-3-5-16(6-4-14)24-23(29)20-2-1-10-31-20/h1-13H,(H,24,29)(H,25,28)(H,26,27).
What are the key properties of N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide?
N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 5.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 20695064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).