5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride

C11H10Cl2N2O — CID 151294569

IUPAC5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride
SMILESCC1(Cl)CN(C(=O)Cl)C(c2ccccc2)=N1
InChIInChI=1S/C11H10Cl2N2O/c1-11(13)7-15(10(12)16)9(14-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyOBCZVEFXNMCFBN-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.06
Rot. Bonds1

About 5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride

5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride (PubChem CID 151294569) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride.

Molecular Properties

Compound Name5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride
PubChem CID151294569
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride
SMILESCC1(Cl)CN(C(=O)Cl)C(c2ccccc2)=N1
InChIInChI=1S/C11H10Cl2N2O/c1-11(13)7-15(10(12)16)9(14-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyOBCZVEFXNMCFBN-UHFFFAOYSA-N
XLogP3.06
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride 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 5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride?
The IUPAC name of 5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride (CID 151294569) is 5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride.
What is the SMILES notation for 5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride?
The canonical SMILES for 5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride is CC1(Cl)CN(C(=O)Cl)C(c2ccccc2)=N1.
What is the InChIKey of 5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride?
The InChIKey is OBCZVEFXNMCFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-11(13)7-15(10(12)16)9(14-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride?
5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride has a molecular weight of 257.12 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-5-methyl-2-phenyl-4H-imidazole-3-carbonyl chloride is sourced from PubChem (CID 151294569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).