N-hexylimidazole-1-carboxamide

C10H17N3O — CID 19871863

IUPACN-hexylimidazole-1-carboxamide
SMILESCCCCCCNC(=O)n1ccnc1
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-6-12-10(14)13-8-7-11-9-13/h7-9H,2-6H2,1H3,(H,12,14)
InChIKeyFCTHZOFZZGBGNZ-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.02
Rot. Bonds5

About N-hexylimidazole-1-carboxamide

N-hexylimidazole-1-carboxamide (PubChem CID 19871863) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-hexylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-hexylimidazole-1-carboxamide
PubChem CID19871863
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-hexylimidazole-1-carboxamide
SMILESCCCCCCNC(=O)n1ccnc1
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-6-12-10(14)13-8-7-11-9-13/h7-9H,2-6H2,1H3,(H,12,14)
InChIKeyFCTHZOFZZGBGNZ-UHFFFAOYSA-N
XLogP2.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-hexylimidazole-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-hexylimidazole-1-carboxamide?
The IUPAC name of N-hexylimidazole-1-carboxamide (CID 19871863) is N-hexylimidazole-1-carboxamide.
What is the SMILES notation for N-hexylimidazole-1-carboxamide?
The canonical SMILES for N-hexylimidazole-1-carboxamide is CCCCCCNC(=O)n1ccnc1.
What is the InChIKey of N-hexylimidazole-1-carboxamide?
The InChIKey is FCTHZOFZZGBGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-3-4-5-6-12-10(14)13-8-7-11-9-13/h7-9H,2-6H2,1H3,(H,12,14).
What are the key properties of N-hexylimidazole-1-carboxamide?
N-hexylimidazole-1-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylimidazole-1-carboxamide is sourced from PubChem (CID 19871863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).