(2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone

C11H8Cl2N2O — CID 71711489

IUPAC(2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl2N2O/c1-15-6-14-5-10(15)11(16)8-3-2-7(12)4-9(8)13/h2-6H,1H3
InChIKeySMWJFEJUOJEETP-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.96
Rot. Bonds2

About (2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone

(2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone (PubChem CID 71711489) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone
PubChem CID71711489
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name(2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl2N2O/c1-15-6-14-5-10(15)11(16)8-3-2-7(12)4-9(8)13/h2-6H,1H3
InChIKeySMWJFEJUOJEETP-UHFFFAOYSA-N
XLogP2.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,4-dichlorophenyl)-(3-methylimidazol-4-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 (2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone (CID 71711489) is (2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is SMWJFEJUOJEETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-15-6-14-5-10(15)11(16)8-3-2-7(12)4-9(8)13/h2-6H,1H3.
What are the key properties of (2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone?
(2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 255.10 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 71711489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).