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

C18H17BrN2OS — CID 3528448

IUPAC(4-bromophenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H17BrN2OS/c1-13-3-2-4-14(11-13)12-23-18-20-9-10-21(18)17(22)15-5-7-16(19)8-6-15/h2-8,11H,9-10,12H2,1H3
InChIKeyIJXGBXQSUUNJQD-UHFFFAOYSA-N
MW389.32 g/mol
LogP4.50
Rot. Bonds3

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

(4-bromophenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 3528448) has the molecular formula C18H17BrN2OS and a molecular weight of 389.32 g/mol. Its IUPAC name is (4-bromophenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID3528448
Molecular FormulaC18H17BrN2OS
Molecular Weight389.32 g/mol
Exact Mass388.02
IUPAC Name(4-bromophenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H17BrN2OS/c1-13-3-2-4-14(11-13)12-23-18-20-9-10-21(18)17(22)15-5-7-16(19)8-6-15/h2-8,11H,9-10,12H2,1H3
InChIKeyIJXGBXQSUUNJQD-UHFFFAOYSA-N
XLogP4.50
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 3528448) is (4-bromophenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is Cc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of (4-bromophenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is IJXGBXQSUUNJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2OS/c1-13-3-2-4-14(11-13)12-23-18-20-9-10-21(18)17(22)15-5-7-16(19)8-6-15/h2-8,11H,9-10,12H2,1H3.
What are the key properties of (4-bromophenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
(4-bromophenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 389.32 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 3528448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).