N-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide

C24H24N4O3 — CID 558869

IUPACN-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCCCC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C24H24N4O3/c1-16-10-11-19(18(14-16)22(29)17-8-4-2-5-9-17)27-23(30)20-21(26-15-25-20)24(31)28-12-6-3-7-13-28/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,25,26)(H,27,30)
InChIKeyQXPBMTMASAVULQ-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.83
Rot. Bonds5

About N-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide

N-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide (PubChem CID 558869) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide
PubChem CID558869
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCCCC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C24H24N4O3/c1-16-10-11-19(18(14-16)22(29)17-8-4-2-5-9-17)27-23(30)20-21(26-15-25-20)24(31)28-12-6-3-7-13-28/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,25,26)(H,27,30)
InChIKeyQXPBMTMASAVULQ-UHFFFAOYSA-N
XLogP3.83
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide (CID 558869) is N-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide is Cc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCCCC2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The InChIKey is QXPBMTMASAVULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16-10-11-19(18(14-16)22(29)17-8-4-2-5-9-17)27-23(30)20-21(26-15-25-20)24(31)28-12-6-3-7-13-28/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,25,26)(H,27,30).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
N-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 558869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).