2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde

C15H16ClFN2O — CID 19024566

IUPAC2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde
SMILESCCCCc1nc(F)c(C=O)n1Cc1ccccc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-2-3-8-14-18-15(17)13(10-20)19(14)9-11-6-4-5-7-12(11)16/h4-7,10H,2-3,8-9H2,1H3
InChIKeyYIHIWACEIXKPSR-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.88
Rot. Bonds6

About 2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde

2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde (PubChem CID 19024566) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde
PubChem CID19024566
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde
SMILESCCCCc1nc(F)c(C=O)n1Cc1ccccc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-2-3-8-14-18-15(17)13(10-20)19(14)9-11-6-4-5-7-12(11)16/h4-7,10H,2-3,8-9H2,1H3
InChIKeyYIHIWACEIXKPSR-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-chlorophenyl)methyl]-5-fluoroimidazole-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-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde?
The IUPAC name of 2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde (CID 19024566) is 2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde.
What is the SMILES notation for 2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde?
The canonical SMILES for 2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde is CCCCc1nc(F)c(C=O)n1Cc1ccccc1Cl.
What is the InChIKey of 2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde?
The InChIKey is YIHIWACEIXKPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-2-3-8-14-18-15(17)13(10-20)19(14)9-11-6-4-5-7-12(11)16/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde?
2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazole-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-chlorophenyl)methyl]-5-fluoroimidazole-4-carbaldehyde is sourced from PubChem (CID 19024566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).