2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide

C15H18N4O2 — CID 70997031

IUPAC2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide
SMILESCCCc1ccc(C(=O)Nc2nc(C)[nH]c2C(N)=O)cc1
InChIInChI=1S/C15H18N4O2/c1-3-4-10-5-7-11(8-6-10)15(21)19-14-12(13(16)20)17-9(2)18-14/h5-8H,3-4H2,1-2H3,(H2,16,20)(H,17,18)(H,19,21)
InChIKeyMNORNVAEOCLYHG-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.02
Rot. Bonds5

About 2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide

2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide (PubChem CID 70997031) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide
PubChem CID70997031
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide
SMILESCCCc1ccc(C(=O)Nc2nc(C)[nH]c2C(N)=O)cc1
InChIInChI=1S/C15H18N4O2/c1-3-4-10-5-7-11(8-6-10)15(21)19-14-12(13(16)20)17-9(2)18-14/h5-8H,3-4H2,1-2H3,(H2,16,20)(H,17,18)(H,19,21)
InChIKeyMNORNVAEOCLYHG-UHFFFAOYSA-N
XLogP2.02
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide (CID 70997031) is 2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide is CCCc1ccc(C(=O)Nc2nc(C)[nH]c2C(N)=O)cc1.
What is the InChIKey of 2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide?
The InChIKey is MNORNVAEOCLYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-4-10-5-7-11(8-6-10)15(21)19-14-12(13(16)20)17-9(2)18-14/h5-8H,3-4H2,1-2H3,(H2,16,20)(H,17,18)(H,19,21).
What are the key properties of 2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide?
2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-propylbenzoyl)amino]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 70997031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).