[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone

C14H15BrN2OS — CID 3541160

IUPAC[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN=C1SCc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2OS/c15-12-5-1-10(2-6-12)9-19-14-16-7-8-17(14)13(18)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2
InChIKeyPJPHMZRMUBEODD-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.29
Rot. Bonds3

About [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone

[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone (PubChem CID 3541160) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone
PubChem CID3541160
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN=C1SCc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2OS/c15-12-5-1-10(2-6-12)9-19-14-16-7-8-17(14)13(18)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2
InChIKeyPJPHMZRMUBEODD-UHFFFAOYSA-N
XLogP3.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone
CID 4067407
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-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3-chlorophenyl)methanone
CID 4190547
[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone
CID 4109174
[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 4206070
(2-chlorophenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3644391
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 4055617
1,3-benzodioxol-5-yl-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4219251
(4-fluorophenyl)-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4319518
2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone
CID 5165403
[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone
CID 4304297

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone?
The IUPAC name of [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone (CID 3541160) is [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone?
The canonical SMILES for [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN=C1SCc1ccc(Br)cc1.
What is the InChIKey of [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone?
The InChIKey is PJPHMZRMUBEODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c15-12-5-1-10(2-6-12)9-19-14-16-7-8-17(14)13(18)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2.
What are the key properties of [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone?
[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone has a molecular weight of 339.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 3541160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).