(4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone

C10H5Cl3N2O — CID 15036821

IUPAC(4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)n1cnc(Cl)c1Cl
InChIInChI=1S/C10H5Cl3N2O/c11-7-3-1-6(2-4-7)10(16)15-5-14-8(12)9(15)13/h1-5H
InChIKeyXEZAJGAWRGPVAY-UHFFFAOYSA-N
MW275.52 g/mol
LogP3.53
Rot. Bonds1

About (4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone

(4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone (PubChem CID 15036821) has the molecular formula C10H5Cl3N2O and a molecular weight of 275.52 g/mol. Its IUPAC name is (4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone
PubChem CID15036821
Molecular FormulaC10H5Cl3N2O
Molecular Weight275.52 g/mol
Exact Mass273.95
IUPAC Name(4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)n1cnc(Cl)c1Cl
InChIInChI=1S/C10H5Cl3N2O/c11-7-3-1-6(2-4-7)10(16)15-5-14-8(12)9(15)13/h1-5H
InChIKeyXEZAJGAWRGPVAY-UHFFFAOYSA-N
XLogP3.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.52
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone (CID 15036821) is (4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone is O=C(c1ccc(Cl)cc1)n1cnc(Cl)c1Cl.
What is the InChIKey of (4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone?
The InChIKey is XEZAJGAWRGPVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N2O/c11-7-3-1-6(2-4-7)10(16)15-5-14-8(12)9(15)13/h1-5H.
What are the key properties of (4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone?
(4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone has a molecular weight of 275.52 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4,5-dichloroimidazol-1-yl)methanone is sourced from PubChem (CID 15036821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).