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

C24H18BrClN2O2S — CID 155815708

IUPAC1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone
SMILESCOc1ccc(-c2cn(-c3ccc(Cl)cc3)c(SCC(=O)c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C24H18BrClN2O2S/c1-30-21-12-4-16(5-13-21)22-14-28(20-10-8-19(26)9-11-20)24(27-22)31-15-23(29)17-2-6-18(25)7-3-17/h2-14H,15H2,1H3
InChIKeyBJGWRPWGUDBYKH-UHFFFAOYSA-N
MW513.84 g/mol
LogP6.94
Rot. Bonds7

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

1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone (PubChem CID 155815708) has the molecular formula C24H18BrClN2O2S and a molecular weight of 513.84 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone
PubChem CID155815708
Molecular FormulaC24H18BrClN2O2S
Molecular Weight513.84 g/mol
Exact Mass512.00
IUPAC Name1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone
SMILESCOc1ccc(-c2cn(-c3ccc(Cl)cc3)c(SCC(=O)c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C24H18BrClN2O2S/c1-30-21-12-4-16(5-13-21)22-14-28(20-10-8-19(26)9-11-20)24(27-22)31-15-23(29)17-2-6-18(25)7-3-17/h2-14H,15H2,1H3
InChIKeyBJGWRPWGUDBYKH-UHFFFAOYSA-N
XLogP6.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.84
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone
CID 155805828
2-[[4-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
CID 4296264
3-[2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzo[h]chromen-2-one
CID 139228773
2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 980512
2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone
CID 51057075
1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 3292571
1-(4-chlorophenyl)-2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2047966
1-(4-bromophenyl)-2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 51057164
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
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone (CID 155815708) is 1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone is COc1ccc(-c2cn(-c3ccc(Cl)cc3)c(SCC(=O)c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
The InChIKey is BJGWRPWGUDBYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrClN2O2S/c1-30-21-12-4-16(5-13-21)22-14-28(20-10-8-19(26)9-11-20)24(27-22)31-15-23(29)17-2-6-18(25)7-3-17/h2-14H,15H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone has a molecular weight of 513.84 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 155815708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).