2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde

C15H16ClFN2O — CID 19936763

IUPAC2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde
SMILESCCCCc1ncc(C=O)n1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-2-3-7-15-18-8-11(10-20)19(15)9-12-13(16)5-4-6-14(12)17/h4-6,8,10H,2-3,7,9H2,1H3
InChIKeyVUTSRQDLJVKDBR-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.88
Rot. Bonds6

About 2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde

2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde (PubChem CID 19936763) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde
PubChem CID19936763
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde
SMILESCCCCc1ncc(C=O)n1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-2-3-7-15-18-8-11(10-20)19(15)9-12-13(16)5-4-6-14(12)17/h4-6,8,10H,2-3,7,9H2,1H3
InChIKeyVUTSRQDLJVKDBR-UHFFFAOYSA-N
XLogP3.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-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 2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde?
The IUPAC name of 2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde (CID 19936763) is 2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde.
What is the SMILES notation for 2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde?
The canonical SMILES for 2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde is CCCCc1ncc(C=O)n1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde?
The InChIKey is VUTSRQDLJVKDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-2-3-7-15-18-8-11(10-20)19(15)9-12-13(16)5-4-6-14(12)17/h4-6,8,10H,2-3,7,9H2,1H3.
What are the key properties of 2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde?
2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde has a molecular weight of 294.76 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde is sourced from PubChem (CID 19936763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).