(4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

C11H11BrN2OS — CID 4131479

IUPAC(4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2OS/c1-16-11-13-6-7-14(11)10(15)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyVOLJVZPYUJNOTK-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.62
Rot. Bonds1

About (4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

(4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 4131479) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is (4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID4131479
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name(4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2OS/c1-16-11-13-6-7-14(11)10(15)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyVOLJVZPYUJNOTK-UHFFFAOYSA-N
XLogP2.62
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 4131479) is (4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is CSC1=NCCN1C(=O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is VOLJVZPYUJNOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-16-11-13-6-7-14(11)10(15)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of (4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
(4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 299.19 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 4131479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).