N-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide

C30H24N4O4 — CID 1274589

IUPACN-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)C(=Cc4ccccn4)N=C3c3ccccc3)cc2)c1
InChIInChI=1S/C30H24N4O4/c1-37-24-15-16-27(38-2)25(19-24)33-29(35)21-11-13-23(14-12-21)34-28(20-8-4-3-5-9-20)32-26(30(34)36)18-22-10-6-7-17-31-22/h3-19H,1-2H3,(H,33,35)
InChIKeyVIOZYAIFDVEVPY-UHFFFAOYSA-N
MW504.55 g/mol
LogP5.19
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide

N-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide (PubChem CID 1274589) has the molecular formula C30H24N4O4 and a molecular weight of 504.55 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide
PubChem CID1274589
Molecular FormulaC30H24N4O4
Molecular Weight504.55 g/mol
Exact Mass504.18
IUPAC NameN-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)C(=Cc4ccccn4)N=C3c3ccccc3)cc2)c1
InChIInChI=1S/C30H24N4O4/c1-37-24-15-16-27(38-2)25(19-24)33-29(35)21-11-13-23(14-12-21)34-28(20-8-4-3-5-9-20)32-26(30(34)36)18-22-10-6-7-17-31-22/h3-19H,1-2H3,(H,33,35)
InChIKeyVIOZYAIFDVEVPY-UHFFFAOYSA-N
XLogP5.19
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.55
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide
CID 3842568
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061
2-N-(2,5-dimethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090853
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide
CID 44763648
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one
CID 6103653
N-(2,5-dimethoxyphenyl)-3-pyridin-2-yloxybenzamide
CID 90596489
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-(2,5-dimethoxyphenyl)-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 46272459

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide (CID 1274589) is N-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide is COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)C(=Cc4ccccn4)N=C3c3ccccc3)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide?
The InChIKey is VIOZYAIFDVEVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O4/c1-37-24-15-16-27(38-2)25(19-24)33-29(35)21-11-13-23(14-12-21)34-28(20-8-4-3-5-9-20)32-26(30(34)36)18-22-10-6-7-17-31-22/h3-19H,1-2H3,(H,33,35).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide?
N-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide has a molecular weight of 504.55 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide is sourced from PubChem (CID 1274589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).