2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide

C13H15N3O — CID 20788100

IUPAC2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide
SMILESCCc1nc(C)cn1C(=O)Nc1ccccc1
InChIInChI=1S/C13H15N3O/c1-3-12-14-10(2)9-16(12)13(17)15-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,15,17)
InChIKeyLNQMYRGGSUFIFL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.83
Rot. Bonds2

About 2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide

2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide (PubChem CID 20788100) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide
PubChem CID20788100
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide
SMILESCCc1nc(C)cn1C(=O)Nc1ccccc1
InChIInChI=1S/C13H15N3O/c1-3-12-14-10(2)9-16(12)13(17)15-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,15,17)
InChIKeyLNQMYRGGSUFIFL-UHFFFAOYSA-N
XLogP2.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide (CID 20788100) is 2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide is CCc1nc(C)cn1C(=O)Nc1ccccc1.
What is the InChIKey of 2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide?
The InChIKey is LNQMYRGGSUFIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-12-14-10(2)9-16(12)13(17)15-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,15,17).
What are the key properties of 2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide?
2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-phenylimidazole-1-carboxamide is sourced from PubChem (CID 20788100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).