N-hexyl-5-propyl-1H-imidazole-4-carboxamide

C13H23N3O — CID 11128327

IUPACN-hexyl-5-propyl-1H-imidazole-4-carboxamide
SMILESCCCCCCNC(=O)c1nc[nH]c1CCC
InChIInChI=1S/C13H23N3O/c1-3-5-6-7-9-14-13(17)12-11(8-4-2)15-10-16-12/h10H,3-9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyVSNVMWNZQJSRPD-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.67
Rot. Bonds8

About N-hexyl-5-propyl-1H-imidazole-4-carboxamide

N-hexyl-5-propyl-1H-imidazole-4-carboxamide (PubChem CID 11128327) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-hexyl-5-propyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-propyl-1H-imidazole-4-carboxamide
PubChem CID11128327
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-hexyl-5-propyl-1H-imidazole-4-carboxamide
SMILESCCCCCCNC(=O)c1nc[nH]c1CCC
InChIInChI=1S/C13H23N3O/c1-3-5-6-7-9-14-13(17)12-11(8-4-2)15-10-16-12/h10H,3-9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyVSNVMWNZQJSRPD-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hexyl-5-propyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-hexyl-5-propyl-1H-imidazole-4-carboxamide (CID 11128327) is N-hexyl-5-propyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-hexyl-5-propyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-hexyl-5-propyl-1H-imidazole-4-carboxamide is CCCCCCNC(=O)c1nc[nH]c1CCC.
What is the InChIKey of N-hexyl-5-propyl-1H-imidazole-4-carboxamide?
The InChIKey is VSNVMWNZQJSRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-6-7-9-14-13(17)12-11(8-4-2)15-10-16-12/h10H,3-9H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-hexyl-5-propyl-1H-imidazole-4-carboxamide?
N-hexyl-5-propyl-1H-imidazole-4-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-propyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 11128327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).