(4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone

C11H11ClN2O — CID 71058096

IUPAC(4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1C=CC(Cl)=CC1
InChIInChI=1S/C11H11ClN2O/c1-14-7-6-13-11(14)10(15)8-2-4-9(12)5-3-8/h2,4-8H,3H2,1H3
InChIKeySTWHVNVNRWPPJI-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.30
Rot. Bonds2

About (4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone

(4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone (PubChem CID 71058096) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is (4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone
PubChem CID71058096
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name(4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1C=CC(Cl)=CC1
InChIInChI=1S/C11H11ClN2O/c1-14-7-6-13-11(14)10(15)8-2-4-9(12)5-3-8/h2,4-8H,3H2,1H3
InChIKeySTWHVNVNRWPPJI-UHFFFAOYSA-N
XLogP2.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone 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 (4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone (CID 71058096) is (4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)C1C=CC(Cl)=CC1.
What is the InChIKey of (4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is STWHVNVNRWPPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-14-7-6-13-11(14)10(15)8-2-4-9(12)5-3-8/h2,4-8H,3H2,1H3.
What are the key properties of (4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone?
(4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 222.68 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorocyclohexa-2,4-dien-1-yl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 71058096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).