3-butyl-1,2-dihydroimidazole-5-carbaldehyde

C8H14N2O — CID 174479996

IUPAC3-butyl-1,2-dihydroimidazole-5-carbaldehyde
SMILESCCCCN1C=C(C=O)NC1
InChIInChI=1S/C8H14N2O/c1-2-3-4-10-5-8(6-11)9-7-10/h5-6,9H,2-4,7H2,1H3
InChIKeyLJOLCCXFGLNCKS-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.69
Rot. Bonds4

About 3-butyl-1,2-dihydroimidazole-5-carbaldehyde

3-butyl-1,2-dihydroimidazole-5-carbaldehyde (PubChem CID 174479996) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-butyl-1,2-dihydroimidazole-5-carbaldehyde.

Molecular Properties

Compound Name3-butyl-1,2-dihydroimidazole-5-carbaldehyde
PubChem CID174479996
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-butyl-1,2-dihydroimidazole-5-carbaldehyde
SMILESCCCCN1C=C(C=O)NC1
InChIInChI=1S/C8H14N2O/c1-2-3-4-10-5-8(6-11)9-7-10/h5-6,9H,2-4,7H2,1H3
InChIKeyLJOLCCXFGLNCKS-UHFFFAOYSA-N
XLogP0.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-butyl-1,2-dihydroimidazole-5-carbaldehyde 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 3-butyl-1,2-dihydroimidazole-5-carbaldehyde?
The IUPAC name of 3-butyl-1,2-dihydroimidazole-5-carbaldehyde (CID 174479996) is 3-butyl-1,2-dihydroimidazole-5-carbaldehyde.
What is the SMILES notation for 3-butyl-1,2-dihydroimidazole-5-carbaldehyde?
The canonical SMILES for 3-butyl-1,2-dihydroimidazole-5-carbaldehyde is CCCCN1C=C(C=O)NC1.
What is the InChIKey of 3-butyl-1,2-dihydroimidazole-5-carbaldehyde?
The InChIKey is LJOLCCXFGLNCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-4-10-5-8(6-11)9-7-10/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 3-butyl-1,2-dihydroimidazole-5-carbaldehyde?
3-butyl-1,2-dihydroimidazole-5-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,2-dihydroimidazole-5-carbaldehyde is sourced from PubChem (CID 174479996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).