N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide

C18H17N3O — CID 100825109

IUPACN-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C18H17N3O/c1-14-7-9-16(10-8-14)21-12-17(20-13-21)18(22)19-11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,19,22)
InChIKeyNLUKNPWIQPXBGT-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.11
Rot. Bonds4

About N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide

N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide (PubChem CID 100825109) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide
PubChem CID100825109
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C18H17N3O/c1-14-7-9-16(10-8-14)21-12-17(20-13-21)18(22)19-11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,19,22)
InChIKeyNLUKNPWIQPXBGT-UHFFFAOYSA-N
XLogP3.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816156
[4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid
CID 67529175
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide
CID 53136005
N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178816
2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097257
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795851
N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 53157495
N-benzyl-1-[(4-nitrophenyl)methyl]imidazole-4-carboxamide
CID 53491108
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide
CID 100825091
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide?
The IUPAC name of N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide (CID 100825109) is N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide is Cc1ccc(-n2cnc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide?
The InChIKey is NLUKNPWIQPXBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-14-7-9-16(10-8-14)21-12-17(20-13-21)18(22)19-11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,19,22).
What are the key properties of N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide?
N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 100825109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).