1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one

C19H16Cl2N2O2 — CID 70525281

IUPAC1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one
SMILESCC(Cc1ncc[nH]1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H16Cl2N2O2/c1-12(10-18-22-8-9-23-18)19(24)13-2-5-15(6-3-13)25-17-7-4-14(20)11-16(17)21/h2-9,11-12H,10H2,1H3,(H,22,23)
InChIKeyIRNCSAGVGXFOQC-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.57
Rot. Bonds6

About 1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one

1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one (PubChem CID 70525281) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one
PubChem CID70525281
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one
SMILESCC(Cc1ncc[nH]1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H16Cl2N2O2/c1-12(10-18-22-8-9-23-18)19(24)13-2-5-15(6-3-13)25-17-7-4-14(20)11-16(17)21/h2-9,11-12H,10H2,1H3,(H,22,23)
InChIKeyIRNCSAGVGXFOQC-UHFFFAOYSA-N
XLogP5.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one (CID 70525281) is 1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one is CC(Cc1ncc[nH]1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one?
The InChIKey is IRNCSAGVGXFOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-12(10-18-22-8-9-23-18)19(24)13-2-5-15(6-3-13)25-17-7-4-14(20)11-16(17)21/h2-9,11-12H,10H2,1H3,(H,22,23).
What are the key properties of 1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one?
1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one has a molecular weight of 375.26 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorophenoxy)phenyl]-3-(1H-imidazol-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 70525281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).