2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone

C14H15BrN2OS — CID 66144707

IUPAC2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1C(=O)CSc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2OS/c1-2-7-17-8-6-16-14(17)13(18)10-19-12-5-3-4-11(15)9-12/h3-6,8-9H,2,7,10H2,1H3
InChIKeyLTFUKTXITAUESX-UHFFFAOYSA-N
MW339.26 g/mol
LogP4.03
Rot. Bonds6

About 2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone

2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone (PubChem CID 66144707) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone
PubChem CID66144707
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1C(=O)CSc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2OS/c1-2-7-17-8-6-16-14(17)13(18)10-19-12-5-3-4-11(15)9-12/h3-6,8-9H,2,7,10H2,1H3
InChIKeyLTFUKTXITAUESX-UHFFFAOYSA-N
XLogP4.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanone
CID 66144131
1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone
CID 65141818
1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone
CID 65129636
3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100693
2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone
CID 105100591
1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79743617
2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone
CID 63407740
2-methoxy-1-(1-propylimidazol-2-yl)ethanone
CID 63977312
(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
CID 114026338
2-(3-bromophenyl)sulfanyl-1-pyrimidin-5-ylethanone
CID 66144723
(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone (CID 66144707) is 2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1C(=O)CSc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone?
The InChIKey is LTFUKTXITAUESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-2-7-17-8-6-16-14(17)13(18)10-19-12-5-3-4-11(15)9-12/h3-6,8-9H,2,7,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone?
2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone has a molecular weight of 339.26 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 66144707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).