N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide

C19H18N4O7 — CID 54583670

IUPACN-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
SMILESCOc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC
InChIInChI=1S/C19H18N4O7/c1-28-13-7-10(8-14(29-2)17(13)30-3)15-16(22-19(25)21-15)18(24)20-11-5-4-6-12(9-11)23(26)27/h4-9H,1-3H3,(H,20,24)(H2,21,22,25)
InChIKeyQYKNFMJYNVMMQI-UHFFFAOYSA-N
MW414.37 g/mol
LogP2.56
Rot. Bonds7

About N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide

N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide (PubChem CID 54583670) has the molecular formula C19H18N4O7 and a molecular weight of 414.37 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
PubChem CID54583670
Molecular FormulaC19H18N4O7
Molecular Weight414.37 g/mol
Exact Mass414.12
IUPAC NameN-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
SMILESCOc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC
InChIInChI=1S/C19H18N4O7/c1-28-13-7-10(8-14(29-2)17(13)30-3)15-16(22-19(25)21-15)18(24)20-11-5-4-6-12(9-11)23(26)27/h4-9H,1-3H3,(H,20,24)(H2,21,22,25)
InChIKeyQYKNFMJYNVMMQI-UHFFFAOYSA-N
XLogP2.56
TPSA148.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.37
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
CID 54582696
1-methoxy-3-(3-nitrophenyl)urea
CID 41474055
2-[[4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
CID 3142146
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide
CID 43599838
methyl N-[5-[(3-nitrophenyl)carbamoyl]-1H-imidazol-4-yl]carbamate
CID 6422976
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 46343914
methyl N-[3-(3-nitrophenyl)phenyl]carbamate
CID 110459530
3-(2,6-dimethoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 963710
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide (CID 54583670) is N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide is COc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC.
What is the InChIKey of N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is QYKNFMJYNVMMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O7/c1-28-13-7-10(8-14(29-2)17(13)30-3)15-16(22-19(25)21-15)18(24)20-11-5-4-6-12(9-11)23(26)27/h4-9H,1-3H3,(H,20,24)(H2,21,22,25).
What are the key properties of N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide?
N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 414.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 54583670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).