1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone

C24H18Cl2N2O2S — CID 155805828

IUPAC1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H18Cl2N2O2S/c1-30-21-12-10-20(11-13-21)28-14-22(16-2-6-18(25)7-3-16)27-24(28)31-15-23(29)17-4-8-19(26)9-5-17/h2-14H,15H2,1H3
InChIKeyGUPXZGTWYNLUGQ-UHFFFAOYSA-N
MW469.39 g/mol
LogP6.83
Rot. Bonds7

About 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone

1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone (PubChem CID 155805828) has the molecular formula C24H18Cl2N2O2S and a molecular weight of 469.39 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone
PubChem CID155805828
Molecular FormulaC24H18Cl2N2O2S
Molecular Weight469.39 g/mol
Exact Mass468.05
IUPAC Name1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H18Cl2N2O2S/c1-30-21-12-10-20(11-13-21)28-14-22(16-2-6-18(25)7-3-16)27-24(28)31-15-23(29)17-4-8-19(26)9-5-17/h2-14H,15H2,1H3
InChIKeyGUPXZGTWYNLUGQ-UHFFFAOYSA-N
XLogP6.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.39
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone
CID 155815708
2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 980512
3-[2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzo[h]chromen-2-one
CID 139228773
1-(4-chlorophenyl)-2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2047966
1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 3292571
2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 4558088
2-[[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 2039776
2-[[4-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
CID 4296264
1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 991286
1-(4-chlorophenyl)-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanone
CID 53321268
2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 4026430
2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone
CID 3334815

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone (CID 155805828) is 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone is COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
The InChIKey is GUPXZGTWYNLUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O2S/c1-30-21-12-10-20(11-13-21)28-14-22(16-2-6-18(25)7-3-16)27-24(28)31-15-23(29)17-4-8-19(26)9-5-17/h2-14H,15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone has a molecular weight of 469.39 g/mol, XLogP of 6.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 155805828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).