N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide

C26H19ClN4O2S — CID 20694919

IUPACN-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cccs5)cc4[nH]3)cc2)c1
InChIInChI=1S/C26H19ClN4O2S/c1-15-11-17(13-18(27)12-15)25(32)28-19-6-4-16(5-7-19)24-30-21-9-8-20(14-22(21)31-24)29-26(33)23-3-2-10-34-23/h2-14H,1H3,(H,28,32)(H,29,33)(H,30,31)
InChIKeyPPPPZNRFMLFCPV-UHFFFAOYSA-N
MW486.98 g/mol
LogP6.76
Rot. Bonds5

About N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide

N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide (PubChem CID 20694919) has the molecular formula C26H19ClN4O2S and a molecular weight of 486.98 g/mol. Its IUPAC name is N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide
PubChem CID20694919
Molecular FormulaC26H19ClN4O2S
Molecular Weight486.98 g/mol
Exact Mass486.09
IUPAC NameN-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cccs5)cc4[nH]3)cc2)c1
InChIInChI=1S/C26H19ClN4O2S/c1-15-11-17(13-18(27)12-15)25(32)28-19-6-4-16(5-7-19)24-30-21-9-8-20(14-22(21)31-24)29-26(33)23-3-2-10-34-23/h2-14H,1H3,(H,28,32)(H,29,33)(H,30,31)
InChIKeyPPPPZNRFMLFCPV-UHFFFAOYSA-N
XLogP6.76
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.98
LogP ≤ 56.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
CID 20695064
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694849
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
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[2-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;2,4-dichloro-N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide;2,4-dichloro-N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 158383128
N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55863771
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide
CID 20695068
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
CID 100579998

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide (CID 20694919) is N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide is Cc1cc(Cl)cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cccs5)cc4[nH]3)cc2)c1.
What is the InChIKey of N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
The InChIKey is PPPPZNRFMLFCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O2S/c1-15-11-17(13-18(27)12-15)25(32)28-19-6-4-16(5-7-19)24-30-21-9-8-20(14-22(21)31-24)29-26(33)23-3-2-10-34-23/h2-14H,1H3,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide has a molecular weight of 486.98 g/mol, XLogP of 6.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 20694919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).