2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide

C25H26N4O — CID 56577119

IUPAC2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide
SMILESCc1cccc(-n2c(C)cc(C(=O)Nc3ccc(Cn4ccnc4C)cc3)c2C)c1
InChIInChI=1S/C25H26N4O/c1-17-6-5-7-23(14-17)29-18(2)15-24(19(29)3)25(30)27-22-10-8-21(9-11-22)16-28-13-12-26-20(28)4/h5-15H,16H2,1-4H3,(H,27,30)
InChIKeyXOVNYSJONCYZKK-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.21
Rot. Bonds5

About 2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide

2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide (PubChem CID 56577119) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide
PubChem CID56577119
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide
SMILESCc1cccc(-n2c(C)cc(C(=O)Nc3ccc(Cn4ccnc4C)cc3)c2C)c1
InChIInChI=1S/C25H26N4O/c1-17-6-5-7-23(14-17)29-18(2)15-24(19(29)3)25(30)27-22-10-8-21(9-11-22)16-28-13-12-26-20(28)4/h5-15H,16H2,1-4H3,(H,27,30)
InChIKeyXOVNYSJONCYZKK-UHFFFAOYSA-N
XLogP5.21
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 2423054
2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 56585371
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 56506117
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 26695119
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide
CID 56512878
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
CID 56784420
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 56583372
N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 29294399
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
CID 56577149

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide (CID 56577119) is 2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide is Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(Cn4ccnc4C)cc3)c2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is XOVNYSJONCYZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-17-6-5-7-23(14-17)29-18(2)15-24(19(29)3)25(30)27-22-10-8-21(9-11-22)16-28-13-12-26-20(28)4/h5-15H,16H2,1-4H3,(H,27,30).
What are the key properties of 2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide?
2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 56577119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).