1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone

C14H15BrN2OS — CID 25249673

IUPAC1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone
SMILESCCc1nc(SCC(=O)c2ccc(Br)cc2)[nH]c1C
InChIInChI=1S/C14H15BrN2OS/c1-3-12-9(2)16-14(17-12)19-8-13(18)10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyIGXFCZVRVKLKFC-UHFFFAOYSA-N
MW339.26 g/mol
LogP4.02
Rot. Bonds5

About 1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone

1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone (PubChem CID 25249673) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone
PubChem CID25249673
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone
SMILESCCc1nc(SCC(=O)c2ccc(Br)cc2)[nH]c1C
InChIInChI=1S/C14H15BrN2OS/c1-3-12-9(2)16-14(17-12)19-8-13(18)10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyIGXFCZVRVKLKFC-UHFFFAOYSA-N
XLogP4.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135450709
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135847425
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3H-pteridin-4-one
CID 135585432
1-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
CID 603206
4-methyl-2-[2-(4-methylsulfanylphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135929207
N-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16766269
1-(4-bromophenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 4644017
3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 60626269
1-[4-(4-bromophenyl)phenyl]-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 18203578
1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone
CID 63406773
2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135441412
1-(4-chlorophenyl)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 854784

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone (CID 25249673) is 1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone is CCc1nc(SCC(=O)c2ccc(Br)cc2)[nH]c1C.
What is the InChIKey of 1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone?
The InChIKey is IGXFCZVRVKLKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-3-12-9(2)16-14(17-12)19-8-13(18)10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone?
1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone has a molecular weight of 339.26 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 25249673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).