1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide

C25H28N4O — CID 55451237

IUPAC1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCCn2c(C)nc3ccccc32)c(C)n1Cc1ccccc1
InChIInChI=1S/C25H28N4O/c1-18-16-22(19(2)29(18)17-21-10-5-4-6-11-21)25(30)26-14-9-15-28-20(3)27-23-12-7-8-13-24(23)28/h4-8,10-13,16H,9,14-15,17H2,1-3H3,(H,26,30)
InChIKeyLJECMIJQNWIPAJ-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.63
Rot. Bonds7

About 1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide

1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide (PubChem CID 55451237) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide
PubChem CID55451237
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCCn2c(C)nc3ccccc32)c(C)n1Cc1ccccc1
InChIInChI=1S/C25H28N4O/c1-18-16-22(19(2)29(18)17-21-10-5-4-6-11-21)25(30)26-14-9-15-28-20(3)27-23-12-7-8-13-24(23)28/h4-8,10-13,16H,9,14-15,17H2,1-3H3,(H,26,30)
InChIKeyLJECMIJQNWIPAJ-UHFFFAOYSA-N
XLogP4.63
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 46519962
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
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
3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 51122866
2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide
CID 134036923
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
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-nitrobenzamide
CID 46514864
3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55634219
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55340080
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-phenylcyclopropane-1-carboxamide
CID 134036894

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide (CID 55451237) is 1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide is Cc1cc(C(=O)NCCCn2c(C)nc3ccccc32)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide?
The InChIKey is LJECMIJQNWIPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-16-22(19(2)29(18)17-21-10-5-4-6-11-21)25(30)26-14-9-15-28-20(3)27-23-12-7-8-13-24(23)28/h4-8,10-13,16H,9,14-15,17H2,1-3H3,(H,26,30).
What are the key properties of 1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide?
1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide is sourced from PubChem (CID 55451237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).