N-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide

C18H22N4O2 — CID 16746564

IUPACN-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-12-3-5-14(6-4-12)21-17(23)15-16(20-11-19-15)18(24)22-9-7-13(2)8-10-22/h3-6,11,13H,7-10H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyOOWWYBYSXXETAM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.84
Rot. Bonds3

About N-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide

N-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide (PubChem CID 16746564) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide
PubChem CID16746564
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-12-3-5-14(6-4-12)21-17(23)15-16(20-11-19-15)18(24)22-9-7-13(2)8-10-22/h3-6,11,13H,7-10H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyOOWWYBYSXXETAM-UHFFFAOYSA-N
XLogP2.84
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide (CID 16746564) is N-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide is Cc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The InChIKey is OOWWYBYSXXETAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-3-5-14(6-4-12)21-17(23)15-16(20-11-19-15)18(24)22-9-7-13(2)8-10-22/h3-6,11,13H,7-10H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
N-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 16746564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).