2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide

C26H24N6O4 — CID 10624717

IUPAC2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide
SMILESCN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(NCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1
InChIInChI=1S/C26H24N6O4/c1-30(2)21-12-8-18(9-13-21)16-23-26(34)31(25(29-23)19-6-4-3-5-7-19)27-17-24(33)28-20-10-14-22(15-11-20)32(35)36/h3-16,27H,17H2,1-2H3,(H,28,33)/b23-16-
InChIKeyUVICCJNAABMBDE-KQWNVCNZSA-N
MW484.52 g/mol
LogP3.43
Rot. Bonds8

About 2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide

2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide (PubChem CID 10624717) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide
PubChem CID10624717
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Name2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide
SMILESCN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(NCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1
InChIInChI=1S/C26H24N6O4/c1-30(2)21-12-8-18(9-13-21)16-23-26(34)31(25(29-23)19-6-4-3-5-7-19)27-17-24(33)28-20-10-14-22(15-11-20)32(35)36/h3-16,27H,17H2,1-2H3,(H,28,33)/b23-16-
InChIKeyUVICCJNAABMBDE-KQWNVCNZSA-N
XLogP3.43
TPSA120.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
CID 6979157
2,4,4,4-tetrachloro-N-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]butanamide
CID 6294282
(5Z)-5-[(3-nitrophenyl)methylidene]-3-[[[(4Z)-4-[(3-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]methylamino]-2-phenylimidazol-4-one
CID 5471430
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one
CID 46898573
(5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 10814340
N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide
CID 3701856
3-anilino-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 1256143
(5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 2270690
(5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one
CID 5471575
(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one
CID 1034537
N-[4-[[4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
CID 1275634
(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273965

Frequently Asked Questions

What is the IUPAC name of 2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide (CID 10624717) is 2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide is CN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(NCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1.
What is the InChIKey of 2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide?
The InChIKey is UVICCJNAABMBDE-KQWNVCNZSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-30(2)21-12-8-18(9-13-21)16-23-26(34)31(25(29-23)19-6-4-3-5-7-19)27-17-24(33)28-20-10-14-22(15-11-20)32(35)36/h3-16,27H,17H2,1-2H3,(H,28,33)/b23-16-.
What are the key properties of 2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide?
2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide has a molecular weight of 484.52 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 10624717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).