1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone

C19H16Cl2N2O — CID 148842493

IUPAC1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone
SMILESCc1cn(-c2ccc(CC(=O)c3ccc(Cl)c(Cl)c3)cc2C)cn1
InChIInChI=1S/C19H16Cl2N2O/c1-12-7-14(3-6-18(12)23-10-13(2)22-11-23)8-19(24)15-4-5-16(20)17(21)9-15/h3-7,9-11H,8H2,1-2H3
InChIKeyOVUWQSQXNHOWFH-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.22
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone

1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone (PubChem CID 148842493) has the molecular formula C19H16Cl2N2O and a molecular weight of 359.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone
PubChem CID148842493
Molecular FormulaC19H16Cl2N2O
Molecular Weight359.26 g/mol
Exact Mass358.06
IUPAC Name1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone
SMILESCc1cn(-c2ccc(CC(=O)c3ccc(Cl)c(Cl)c3)cc2C)cn1
InChIInChI=1S/C19H16Cl2N2O/c1-12-7-14(3-6-18(12)23-10-13(2)22-11-23)8-19(24)15-4-5-16(20)17(21)9-15/h3-7,9-11H,8H2,1-2H3
InChIKeyOVUWQSQXNHOWFH-UHFFFAOYSA-N
XLogP5.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 103214014
5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one
CID 160678101
1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 63194906
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491660
methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate
CID 159516626
2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802703
[2-(4-methylimidazol-1-yl)-5-(2-methylpropyl)phenyl]methanol
CID 58217761
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
2-(4-chloro-3-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethanone
CID 107890599
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
CID 24726104
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 159516627

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone (CID 148842493) is 1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone is Cc1cn(-c2ccc(CC(=O)c3ccc(Cl)c(Cl)c3)cc2C)cn1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone?
The InChIKey is OVUWQSQXNHOWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O/c1-12-7-14(3-6-18(12)23-10-13(2)22-11-23)8-19(24)15-4-5-16(20)17(21)9-15/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone?
1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone has a molecular weight of 359.26 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 148842493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).