2-pentyl-1H-imidazole-5-carboxamide

C9H15N3O — CID 68638912

IUPAC2-pentyl-1H-imidazole-5-carboxamide
SMILESCCCCCc1ncc(C(N)=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-2-3-4-5-8-11-6-7(12-8)9(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyQOYCHWCYPXIQDD-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.24
Rot. Bonds5

About 2-pentyl-1H-imidazole-5-carboxamide

2-pentyl-1H-imidazole-5-carboxamide (PubChem CID 68638912) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-pentyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-pentyl-1H-imidazole-5-carboxamide
PubChem CID68638912
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-pentyl-1H-imidazole-5-carboxamide
SMILESCCCCCc1ncc(C(N)=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-2-3-4-5-8-11-6-7(12-8)9(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyQOYCHWCYPXIQDD-UHFFFAOYSA-N
XLogP1.24
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.24
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 2-pentyl-1H-imidazole-5-carboxamide?
The IUPAC name of 2-pentyl-1H-imidazole-5-carboxamide (CID 68638912) is 2-pentyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-pentyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-pentyl-1H-imidazole-5-carboxamide is CCCCCc1ncc(C(N)=O)[nH]1.
What is the InChIKey of 2-pentyl-1H-imidazole-5-carboxamide?
The InChIKey is QOYCHWCYPXIQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-3-4-5-8-11-6-7(12-8)9(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of 2-pentyl-1H-imidazole-5-carboxamide?
2-pentyl-1H-imidazole-5-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 68638912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).