5-butan-2-yl-1H-imidazole-2-carboxamide

C8H13N3O — CID 126495888

IUPAC5-butan-2-yl-1H-imidazole-2-carboxamide
SMILESCCC(C)c1cnc(C(N)=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-3-5(2)6-4-10-8(11-6)7(9)12/h4-5H,3H2,1-2H3,(H2,9,12)(H,10,11)
InChIKeyUTXHATLXJXMOON-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.02
Rot. Bonds3

About 5-butan-2-yl-1H-imidazole-2-carboxamide

5-butan-2-yl-1H-imidazole-2-carboxamide (PubChem CID 126495888) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-butan-2-yl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-butan-2-yl-1H-imidazole-2-carboxamide
PubChem CID126495888
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-butan-2-yl-1H-imidazole-2-carboxamide
SMILESCCC(C)c1cnc(C(N)=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-3-5(2)6-4-10-8(11-6)7(9)12/h4-5H,3H2,1-2H3,(H2,9,12)(H,10,11)
InChIKeyUTXHATLXJXMOON-UHFFFAOYSA-N
XLogP1.02
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-yl-1H-imidazole-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 5-butan-2-yl-1H-imidazole-2-carboxamide?
The IUPAC name of 5-butan-2-yl-1H-imidazole-2-carboxamide (CID 126495888) is 5-butan-2-yl-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-butan-2-yl-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-butan-2-yl-1H-imidazole-2-carboxamide is CCC(C)c1cnc(C(N)=O)[nH]1.
What is the InChIKey of 5-butan-2-yl-1H-imidazole-2-carboxamide?
The InChIKey is UTXHATLXJXMOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-5(2)6-4-10-8(11-6)7(9)12/h4-5H,3H2,1-2H3,(H2,9,12)(H,10,11).
What are the key properties of 5-butan-2-yl-1H-imidazole-2-carboxamide?
5-butan-2-yl-1H-imidazole-2-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 126495888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).