6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one

C14H12ClN3O2S — CID 134065250

IUPAC6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one
SMILESCn1ccnc1SCC(=O)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C14H12ClN3O2S/c1-18-3-2-16-14(18)21-7-12(19)9-4-8-5-13(20)17-11(8)6-10(9)15/h2-4,6H,5,7H2,1H3,(H,17,20)
InChIKeyDLAOZISOWPSAMO-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.54
Rot. Bonds4

About 6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one

6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one (PubChem CID 134065250) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one
PubChem CID134065250
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one
SMILESCn1ccnc1SCC(=O)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C14H12ClN3O2S/c1-18-3-2-16-14(18)21-7-12(19)9-4-8-5-13(20)17-11(8)6-10(9)15/h2-4,6H,5,7H2,1H3,(H,17,20)
InChIKeyDLAOZISOWPSAMO-UHFFFAOYSA-N
XLogP2.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one (CID 134065250) is 6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one is Cn1ccnc1SCC(=O)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one?
The InChIKey is DLAOZISOWPSAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c1-18-3-2-16-14(18)21-7-12(19)9-4-8-5-13(20)17-11(8)6-10(9)15/h2-4,6H,5,7H2,1H3,(H,17,20).
What are the key properties of 6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one?
6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one has a molecular weight of 321.79 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134065250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).