4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide

C18H15N5O4 — CID 2945410

IUPAC4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H15N5O4/c1-11-5-4-6-12(9-11)21-17(24)15-16(20-10-19-15)18(25)22-13-7-2-3-8-14(13)23(26)27/h2-10H,1H3,(H,19,20)(H,21,24)(H,22,25)
InChIKeyUJLWFZLSSCSBHX-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.13
Rot. Bonds5

About 4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide

4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 2945410) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID2945410
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC Name4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H15N5O4/c1-11-5-4-6-12(9-11)21-17(24)15-16(20-10-19-15)18(25)22-13-7-2-3-8-14(13)23(26)27/h2-10H,1H3,(H,19,20)(H,21,24)(H,22,25)
InChIKeyUJLWFZLSSCSBHX-UHFFFAOYSA-N
XLogP3.13
TPSA130.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide (CID 2945410) is 4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide is Cc1cccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is UJLWFZLSSCSBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4/c1-11-5-4-6-12(9-11)21-17(24)15-16(20-10-19-15)18(25)22-13-7-2-3-8-14(13)23(26)27/h2-10H,1H3,(H,19,20)(H,21,24)(H,22,25).
What are the key properties of 4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 365.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 2945410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).