N-octylimidazole-1-carboxamide

C12H21N3O — CID 18328498

IUPACN-octylimidazole-1-carboxamide
SMILESCCCCCCCCNC(=O)n1ccnc1
InChIInChI=1S/C12H21N3O/c1-2-3-4-5-6-7-8-14-12(16)15-10-9-13-11-15/h9-11H,2-8H2,1H3,(H,14,16)
InChIKeySKUWNJBAAZWAQF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.80
Rot. Bonds7

About N-octylimidazole-1-carboxamide

N-octylimidazole-1-carboxamide (PubChem CID 18328498) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-octylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-octylimidazole-1-carboxamide
PubChem CID18328498
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-octylimidazole-1-carboxamide
SMILESCCCCCCCCNC(=O)n1ccnc1
InChIInChI=1S/C12H21N3O/c1-2-3-4-5-6-7-8-14-12(16)15-10-9-13-11-15/h9-11H,2-8H2,1H3,(H,14,16)
InChIKeySKUWNJBAAZWAQF-UHFFFAOYSA-N
XLogP2.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-octylimidazole-1-carboxamide?
The IUPAC name of N-octylimidazole-1-carboxamide (CID 18328498) is N-octylimidazole-1-carboxamide.
What is the SMILES notation for N-octylimidazole-1-carboxamide?
The canonical SMILES for N-octylimidazole-1-carboxamide is CCCCCCCCNC(=O)n1ccnc1.
What is the InChIKey of N-octylimidazole-1-carboxamide?
The InChIKey is SKUWNJBAAZWAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-4-5-6-7-8-14-12(16)15-10-9-13-11-15/h9-11H,2-8H2,1H3,(H,14,16).
What are the key properties of N-octylimidazole-1-carboxamide?
N-octylimidazole-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylimidazole-1-carboxamide is sourced from PubChem (CID 18328498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).