1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone

C17H12Cl2N2O — CID 57320594

IUPAC1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H12Cl2N2O/c18-14-5-6-15(16(19)9-14)12-1-3-13(4-2-12)17(22)10-21-8-7-20-11-21/h1-9,11H,10H2
InChIKeyKERHCFUWWQZAQX-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.74
Rot. Bonds4

About 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone

1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone (PubChem CID 57320594) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone
PubChem CID57320594
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H12Cl2N2O/c18-14-5-6-15(16(19)9-14)12-1-3-13(4-2-12)17(22)10-21-8-7-20-11-21/h1-9,11H,10H2
InChIKeyKERHCFUWWQZAQX-UHFFFAOYSA-N
XLogP4.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone
CID 14988698
1-[2-(4-chlorophenyl)prop-2-enyl]imidazole
CID 71322821
1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid
CID 117068688
N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide
CID 3059770
N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 38104555
2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424
1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone
CID 54279792
1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol
CID 70500879
acetic acid;(Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 129184950
1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone
CID 12841537
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 3,4-dichlorobenzoate
CID 21422347
2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole
CID 15925546

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone (CID 57320594) is 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)c1ccc(-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone?
The InChIKey is KERHCFUWWQZAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c18-14-5-6-15(16(19)9-14)12-1-3-13(4-2-12)17(22)10-21-8-7-20-11-21/h1-9,11H,10H2.
What are the key properties of 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone?
1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone has a molecular weight of 331.20 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 57320594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).