(2-chlorophenyl)-(1-methylimidazol-2-yl)methanone

C11H9ClN2O — CID 5011391

IUPAC(2-chlorophenyl)-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1ccccc1Cl
InChIInChI=1S/C11H9ClN2O/c1-14-7-6-13-11(14)10(15)8-4-2-3-5-9(8)12/h2-7H,1H3
InChIKeyXUOHNXMVWFHIDF-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.30
Rot. Bonds2

About (2-chlorophenyl)-(1-methylimidazol-2-yl)methanone

(2-chlorophenyl)-(1-methylimidazol-2-yl)methanone (PubChem CID 5011391) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is (2-chlorophenyl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(1-methylimidazol-2-yl)methanone
PubChem CID5011391
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name(2-chlorophenyl)-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1ccccc1Cl
InChIInChI=1S/C11H9ClN2O/c1-14-7-6-13-11(14)10(15)8-4-2-3-5-9(8)12/h2-7H,1H3
InChIKeyXUOHNXMVWFHIDF-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 ≤ 500220.66
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(1-methylimidazol-2-yl)methanone (CID 5011391) is (2-chlorophenyl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is XUOHNXMVWFHIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-14-7-6-13-11(14)10(15)8-4-2-3-5-9(8)12/h2-7H,1H3.
What are the key properties of (2-chlorophenyl)-(1-methylimidazol-2-yl)methanone?
(2-chlorophenyl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 220.66 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 (2-chlorophenyl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 5011391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).