N-cyclopentylimidazole-1-carboxamide

C9H13N3O — CID 39869463

IUPACN-cyclopentylimidazole-1-carboxamide
SMILESO=C(NC1CCCC1)n1ccnc1
InChIInChI=1S/C9H13N3O/c13-9(12-6-5-10-7-12)11-8-3-1-2-4-8/h5-8H,1-4H2,(H,11,13)
InChIKeyVBPKISAUQDAIBJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.38
Rot. Bonds1

About N-cyclopentylimidazole-1-carboxamide

N-cyclopentylimidazole-1-carboxamide (PubChem CID 39869463) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-cyclopentylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentylimidazole-1-carboxamide
PubChem CID39869463
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-cyclopentylimidazole-1-carboxamide
SMILESO=C(NC1CCCC1)n1ccnc1
InChIInChI=1S/C9H13N3O/c13-9(12-6-5-10-7-12)11-8-3-1-2-4-8/h5-8H,1-4H2,(H,11,13)
InChIKeyVBPKISAUQDAIBJ-UHFFFAOYSA-N
XLogP1.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentylimidazole-1-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-cyclopentylimidazole-1-carboxamide?
The IUPAC name of N-cyclopentylimidazole-1-carboxamide (CID 39869463) is N-cyclopentylimidazole-1-carboxamide.
What is the SMILES notation for N-cyclopentylimidazole-1-carboxamide?
The canonical SMILES for N-cyclopentylimidazole-1-carboxamide is O=C(NC1CCCC1)n1ccnc1.
What is the InChIKey of N-cyclopentylimidazole-1-carboxamide?
The InChIKey is VBPKISAUQDAIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9(12-6-5-10-7-12)11-8-3-1-2-4-8/h5-8H,1-4H2,(H,11,13).
What are the key properties of N-cyclopentylimidazole-1-carboxamide?
N-cyclopentylimidazole-1-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylimidazole-1-carboxamide is sourced from PubChem (CID 39869463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).