N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide

C13H15N3O — CID 42789423

IUPACN-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
SMILESCCN(C(=O)c1cncn1C)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-3-16(11-7-5-4-6-8-11)13(17)12-9-14-10-15(12)2/h4-10H,3H2,1-2H3
InChIKeyKPJCNFAWJSZBGV-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.09
Rot. Bonds3

About N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide

N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide (PubChem CID 42789423) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
PubChem CID42789423
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
SMILESCCN(C(=O)c1cncn1C)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-3-16(11-7-5-4-6-8-11)13(17)12-9-14-10-15(12)2/h4-10H,3H2,1-2H3
InChIKeyKPJCNFAWJSZBGV-UHFFFAOYSA-N
XLogP2.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide
CID 103510324
ethyl 3-[ethyl-(3-methylimidazole-4-carbonyl)amino]benzoate
CID 126807221
N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide
CID 103510337
N-benzyl-N,3-dimethylimidazole-4-carboxamide
CID 110851099
6-amino-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 114035687
N-ethyl-N-phenyl-1,3-oxazole-5-carboxamide
CID 110857869
3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide
CID 29097744
N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide
CID 110692625
4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide
CID 3112957
5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19623720
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19623365

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide?
The IUPAC name of N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide (CID 42789423) is N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide is CCN(C(=O)c1cncn1C)c1ccccc1.
What is the InChIKey of N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide?
The InChIKey is KPJCNFAWJSZBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-16(11-7-5-4-6-8-11)13(17)12-9-14-10-15(12)2/h4-10H,3H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide?
N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide is sourced from PubChem (CID 42789423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).