N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide

C21H19N5O5 — CID 75455496

IUPACN-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C21H19N5O5/c1-31-15-7-8-17(16(10-15)20(27)23-13-5-6-13)25-21(28)18-11-22-19(24-18)12-3-2-4-14(9-12)26(29)30/h2-4,7-11,13H,5-6H2,1H3,(H,22,24)(H,23,27)(H,25,28)
InChIKeyZIKMCSWTCDMEQM-UHFFFAOYSA-N
MW421.41 g/mol
LogP3.14
Rot. Bonds7

About N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide

N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide (PubChem CID 75455496) has the molecular formula C21H19N5O5 and a molecular weight of 421.41 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide
PubChem CID75455496
Molecular FormulaC21H19N5O5
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC NameN-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C21H19N5O5/c1-31-15-7-8-17(16(10-15)20(27)23-13-5-6-13)25-21(28)18-11-22-19(24-18)12-3-2-4-14(9-12)26(29)30/h2-4,7-11,13H,5-6H2,1H3,(H,22,24)(H,23,27)(H,25,28)
InChIKeyZIKMCSWTCDMEQM-UHFFFAOYSA-N
XLogP3.14
TPSA139.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56782337
N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119778200
N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide
CID 56782333
2-(3-nitrophenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-5-carboxamide
CID 99701279
N-cyclohexyl-2-(3-nitrophenyl)pyrimidine-5-carboxamide
CID 5035480
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 3588829
(4-methyl-1,3-thiazol-2-yl)methyl 2-(3-nitrophenyl)-1H-imidazole-5-carboxylate
CID 75504243
2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide
CID 120500588
N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide
CID 126812723
N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 56782320
N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119778181

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide (CID 75455496) is N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide is COc1ccc(NC(=O)c2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)c(C(=O)NC2CC2)c1.
What is the InChIKey of N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide?
The InChIKey is ZIKMCSWTCDMEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O5/c1-31-15-7-8-17(16(10-15)20(27)23-13-5-6-13)25-21(28)18-11-22-19(24-18)12-3-2-4-14(9-12)26(29)30/h2-4,7-11,13H,5-6H2,1H3,(H,22,24)(H,23,27)(H,25,28).
What are the key properties of N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide?
N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide has a molecular weight of 421.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-2-(3-nitrophenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 75455496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).