N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide

C23H16N4O3S — CID 55863771

IUPACN-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C23H16N4O3S/c28-22(14-5-7-15(8-6-14)24-23(29)20-4-2-12-31-20)25-16-9-10-17-18(13-16)27-21(26-17)19-3-1-11-30-19/h1-13H,(H,24,29)(H,25,28)(H,26,27)
InChIKeyRJTCCUQYMGVUBM-UHFFFAOYSA-N
MW428.47 g/mol
LogP5.39
Rot. Bonds5

About N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55863771) has the molecular formula C23H16N4O3S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55863771
Molecular FormulaC23H16N4O3S
Molecular Weight428.47 g/mol
Exact Mass428.09
IUPAC NameN-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C23H16N4O3S/c28-22(14-5-7-15(8-6-14)24-23(29)20-4-2-12-31-20)25-16-9-10-17-18(13-16)27-21(26-17)19-3-1-11-30-19/h1-13H,(H,24,29)(H,25,28)(H,26,27)
InChIKeyRJTCCUQYMGVUBM-UHFFFAOYSA-N
XLogP5.39
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
CID 20695064
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 52692587
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-6-methylpyridazine-4-carboxamide
CID 99790473
N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide
CID 20694919
4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide
CID 55946378
4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide
CID 47067261
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-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide
CID 60557174
3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide
CID 60526245
methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
CID 86795214
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide
CID 110728841

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 55863771) is N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is RJTCCUQYMGVUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3S/c28-22(14-5-7-15(8-6-14)24-23(29)20-4-2-12-31-20)25-16-9-10-17-18(13-16)27-21(26-17)19-3-1-11-30-19/h1-13H,(H,24,29)(H,25,28)(H,26,27).
What are the key properties of N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 5.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55863771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).