(2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

C17H13BrCl2N2OS — CID 4537201

IUPAC(2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCN=C1SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13BrCl2N2OS/c18-13-4-2-1-3-12(13)16(23)22-8-7-21-17(22)24-10-11-5-6-14(19)15(20)9-11/h1-6,9H,7-8,10H2
InChIKeyXYWBFYFCPBSYSG-UHFFFAOYSA-N
MW444.18 g/mol
LogP5.50
Rot. Bonds3

About (2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

(2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 4537201) has the molecular formula C17H13BrCl2N2OS and a molecular weight of 444.18 g/mol. Its IUPAC name is (2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID4537201
Molecular FormulaC17H13BrCl2N2OS
Molecular Weight444.18 g/mol
Exact Mass441.93
IUPAC Name(2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCN=C1SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13BrCl2N2OS/c18-13-4-2-1-3-12(13)16(23)22-8-7-21-17(22)24-10-11-5-6-14(19)15(20)9-11/h1-6,9H,7-8,10H2
InChIKeyXYWBFYFCPBSYSG-UHFFFAOYSA-N
XLogP5.50
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.18
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxyphenyl)methanone
CID 3390283
(2-chlorophenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3644391
cyclopentyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4577118
cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4558615
[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 4092743
(2-methylphenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4997936
2-(4-chlorophenoxy)-1-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 5173585
(2,5-dichlorophenyl)-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4641018
[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3-chlorophenyl)methanone
CID 4190547
(2,5-dichlorophenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4186222
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-naphthalen-1-ylmethanone
CID 4208332
(2-chloro-5-nitrophenyl)-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4123699

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 4537201) is (2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is O=C(c1ccccc1Br)N1CCN=C1SCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is XYWBFYFCPBSYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrCl2N2OS/c18-13-4-2-1-3-12(13)16(23)22-8-7-21-17(22)24-10-11-5-6-14(19)15(20)9-11/h1-6,9H,7-8,10H2.
What are the key properties of (2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
(2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 444.18 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 4537201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).