1-(2-methylpentyl)imidazole-4-carbaldehyde

C10H16N2O — CID 106716828

IUPAC1-(2-methylpentyl)imidazole-4-carbaldehyde
SMILESCCCC(C)Cn1cnc(C=O)c1
InChIInChI=1S/C10H16N2O/c1-3-4-9(2)5-12-6-10(7-13)11-8-12/h6-9H,3-5H2,1-2H3
InChIKeyUPYGABJIRSYFNU-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.13
Rot. Bonds5

About 1-(2-methylpentyl)imidazole-4-carbaldehyde

1-(2-methylpentyl)imidazole-4-carbaldehyde (PubChem CID 106716828) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(2-methylpentyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-methylpentyl)imidazole-4-carbaldehyde
PubChem CID106716828
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(2-methylpentyl)imidazole-4-carbaldehyde
SMILESCCCC(C)Cn1cnc(C=O)c1
InChIInChI=1S/C10H16N2O/c1-3-4-9(2)5-12-6-10(7-13)11-8-12/h6-9H,3-5H2,1-2H3
InChIKeyUPYGABJIRSYFNU-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentyl)imidazole-4-carbaldehyde?
The IUPAC name of 1-(2-methylpentyl)imidazole-4-carbaldehyde (CID 106716828) is 1-(2-methylpentyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-methylpentyl)imidazole-4-carbaldehyde?
The canonical SMILES for 1-(2-methylpentyl)imidazole-4-carbaldehyde is CCCC(C)Cn1cnc(C=O)c1.
What is the InChIKey of 1-(2-methylpentyl)imidazole-4-carbaldehyde?
The InChIKey is UPYGABJIRSYFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-9(2)5-12-6-10(7-13)11-8-12/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-(2-methylpentyl)imidazole-4-carbaldehyde?
1-(2-methylpentyl)imidazole-4-carbaldehyde has a molecular weight of 180.25 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 106716828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).