N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide

C23H22N4O2S — CID 55523213

IUPACN-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide
SMILESCc1nc2ccccc2n1CCCNC(=O)c1ccccc1NC(=O)c1ccsc1
InChIInChI=1S/C23H22N4O2S/c1-16-25-20-9-4-5-10-21(20)27(16)13-6-12-24-23(29)18-7-2-3-8-19(18)26-22(28)17-11-14-30-15-17/h2-5,7-11,14-15H,6,12-13H2,1H3,(H,24,29)(H,26,28)
InChIKeyGGYKQLCKORMYMH-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.48
Rot. Bonds7

About N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide

N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 55523213) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide
PubChem CID55523213
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide
SMILESCc1nc2ccccc2n1CCCNC(=O)c1ccccc1NC(=O)c1ccsc1
InChIInChI=1S/C23H22N4O2S/c1-16-25-20-9-4-5-10-21(20)27(16)13-6-12-24-23(29)18-7-2-3-8-19(18)26-22(28)17-11-14-30-15-17/h2-5,7-11,14-15H,6,12-13H2,1H3,(H,24,29)(H,26,28)
InChIKeyGGYKQLCKORMYMH-UHFFFAOYSA-N
XLogP4.48
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 55599946
3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55634219
4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-nitrobenzamide
CID 46514864
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 46514997
4,5-dichloro-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78839389
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
CID 51711691
3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 51122866
N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide
CID 55628913
2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 110292027
N-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]benzamide
CID 111353072
1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide
CID 55451237

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide (CID 55523213) is N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide is Cc1nc2ccccc2n1CCCNC(=O)c1ccccc1NC(=O)c1ccsc1.
What is the InChIKey of N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is GGYKQLCKORMYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-16-25-20-9-4-5-10-21(20)27(16)13-6-12-24-23(29)18-7-2-3-8-19(18)26-22(28)17-11-14-30-15-17/h2-5,7-11,14-15H,6,12-13H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide?
N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 55523213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).