5-benzyl-4-ethyl-1H-imidazole-2-carboxamide

C13H15N3O — CID 146641403

IUPAC5-benzyl-4-ethyl-1H-imidazole-2-carboxamide
SMILESCCc1nc(C(N)=O)[nH]c1Cc1ccccc1
InChIInChI=1S/C13H15N3O/c1-2-10-11(16-13(15-10)12(14)17)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyKCJWDWDBTGVMOJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.66
Rot. Bonds4

About 5-benzyl-4-ethyl-1H-imidazole-2-carboxamide

5-benzyl-4-ethyl-1H-imidazole-2-carboxamide (PubChem CID 146641403) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-benzyl-4-ethyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-4-ethyl-1H-imidazole-2-carboxamide
PubChem CID146641403
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-benzyl-4-ethyl-1H-imidazole-2-carboxamide
SMILESCCc1nc(C(N)=O)[nH]c1Cc1ccccc1
InChIInChI=1S/C13H15N3O/c1-2-10-11(16-13(15-10)12(14)17)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyKCJWDWDBTGVMOJ-UHFFFAOYSA-N
XLogP1.66
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-ethyl-1H-imidazole-2-carboxamide?
The IUPAC name of 5-benzyl-4-ethyl-1H-imidazole-2-carboxamide (CID 146641403) is 5-benzyl-4-ethyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-4-ethyl-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-benzyl-4-ethyl-1H-imidazole-2-carboxamide is CCc1nc(C(N)=O)[nH]c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-ethyl-1H-imidazole-2-carboxamide?
The InChIKey is KCJWDWDBTGVMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-10-11(16-13(15-10)12(14)17)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 5-benzyl-4-ethyl-1H-imidazole-2-carboxamide?
5-benzyl-4-ethyl-1H-imidazole-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-ethyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 146641403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).