(2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane

C23H26Cl2N2O2 — CID 91342881

IUPAC(2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane
SMILESCCOCC(C)(C)C.O=C(c1ccc(-c2ncc[nH]2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2N2O.C7H16O/c17-12-5-6-14(18)13(9-12)15(21)10-1-3-11(4-2-10)16-19-7-8-20-16;1-5-8-6-7(2,3)4/h1-9H,(H,19,20);5-6H2,1-4H3
InChIKeyRITWIRPYKOVJCC-UHFFFAOYSA-N
MW433.38 g/mol
LogP6.68
Rot. Bonds5

About (2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane

(2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane (PubChem CID 91342881) has the molecular formula C23H26Cl2N2O2 and a molecular weight of 433.38 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane
PubChem CID91342881
Molecular FormulaC23H26Cl2N2O2
Molecular Weight433.38 g/mol
Exact Mass432.14
IUPAC Name(2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane
SMILESCCOCC(C)(C)C.O=C(c1ccc(-c2ncc[nH]2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2N2O.C7H16O/c17-12-5-6-14(18)13(9-12)15(21)10-1-3-11(4-2-10)16-19-7-8-20-16;1-5-8-6-7(2,3)4/h1-9H,(H,19,20);5-6H2,1-4H3
InChIKeyRITWIRPYKOVJCC-UHFFFAOYSA-N
XLogP6.68
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane?
The IUPAC name of (2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane (CID 91342881) is (2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane.
What is the SMILES notation for (2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane?
The canonical SMILES for (2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane is CCOCC(C)(C)C.O=C(c1ccc(-c2ncc[nH]2)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane?
The InChIKey is RITWIRPYKOVJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O.C7H16O/c17-12-5-6-14(18)13(9-12)15(21)10-1-3-11(4-2-10)16-19-7-8-20-16;1-5-8-6-7(2,3)4/h1-9H,(H,19,20);5-6H2,1-4H3.
What are the key properties of (2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane?
(2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane has a molecular weight of 433.38 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane is sourced from PubChem (CID 91342881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).