N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide

C11H19N3O — CID 115646653

IUPACN-(2-ethylbutyl)-1-methylimidazole-2-carboxamide
SMILESCCC(CC)CNC(=O)c1nccn1C
InChIInChI=1S/C11H19N3O/c1-4-9(5-2)8-13-11(15)10-12-6-7-14(10)3/h6-7,9H,4-5,8H2,1-3H3,(H,13,15)
InChIKeyCWUBJYKXILVNMX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.59
Rot. Bonds5

About N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide

N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide (PubChem CID 115646653) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-1-methylimidazole-2-carboxamide
PubChem CID115646653
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(2-ethylbutyl)-1-methylimidazole-2-carboxamide
SMILESCCC(CC)CNC(=O)c1nccn1C
InChIInChI=1S/C11H19N3O/c1-4-9(5-2)8-13-11(15)10-12-6-7-14(10)3/h6-7,9H,4-5,8H2,1-3H3,(H,13,15)
InChIKeyCWUBJYKXILVNMX-UHFFFAOYSA-N
XLogP1.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide (CID 115646653) is N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide is CCC(CC)CNC(=O)c1nccn1C.
What is the InChIKey of N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide?
The InChIKey is CWUBJYKXILVNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-9(5-2)8-13-11(15)10-12-6-7-14(10)3/h6-7,9H,4-5,8H2,1-3H3,(H,13,15).
What are the key properties of N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide?
N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 115646653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).