2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone

C15H15N3OS — CID 110656771

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone
SMILESCn1ccnc1SCC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C15H15N3OS/c1-17-8-7-16-15(17)20-10-14(19)12-9-18(2)13-6-4-3-5-11(12)13/h3-9H,10H2,1-2H3
InChIKeyNJDCTYGQJYMMEG-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.89
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone

2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone (PubChem CID 110656771) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone
PubChem CID110656771
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone
SMILESCn1ccnc1SCC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C15H15N3OS/c1-17-8-7-16-15(17)20-10-14(19)12-9-18(2)13-6-4-3-5-11(12)13/h3-9H,10H2,1-2H3
InChIKeyNJDCTYGQJYMMEG-UHFFFAOYSA-N
XLogP2.89
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylindol-3-yl)ethanone
CID 110656761
2-[2-(1-methylimidazol-2-yl)sulfanylacetyl]benzo[f]chromen-3-one
CID 1247136
2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone
CID 75464250
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 18075702
1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 52887676
2-[[4-ethyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylindol-3-yl)ethanone
CID 135648805
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
CID 17386104
1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 724945
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone
CID 86729069
2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
CID 43412452
1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 43226508

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone (CID 110656771) is 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone is Cn1ccnc1SCC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone?
The InChIKey is NJDCTYGQJYMMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-17-8-7-16-15(17)20-10-14(19)12-9-18(2)13-6-4-3-5-11(12)13/h3-9H,10H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone?
2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone has a molecular weight of 285.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 110656771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).