6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one

C13H12ClN3O — CID 134140653

IUPAC6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCn3ccnc3)c(Cl)cc2N1
InChIInChI=1S/C13H12ClN3O/c14-11-7-12-10(6-13(18)16-12)5-9(11)1-3-17-4-2-15-8-17/h2,4-5,7-8H,1,3,6H2,(H,16,18)
InChIKeyUDWUEJXOTFSYOQ-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.27
Rot. Bonds3

About 6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one

6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one (PubChem CID 134140653) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one
PubChem CID134140653
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCn3ccnc3)c(Cl)cc2N1
InChIInChI=1S/C13H12ClN3O/c14-11-7-12-10(6-13(18)16-12)5-9(11)1-3-17-4-2-15-8-17/h2,4-5,7-8H,1,3,6H2,(H,16,18)
InChIKeyUDWUEJXOTFSYOQ-UHFFFAOYSA-N
XLogP2.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one (CID 134140653) is 6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(CCn3ccnc3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one?
The InChIKey is UDWUEJXOTFSYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-11-7-12-10(6-13(18)16-12)5-9(11)1-3-17-4-2-15-8-17/h2,4-5,7-8H,1,3,6H2,(H,16,18).
What are the key properties of 6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one?
6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one has a molecular weight of 261.71 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 134140653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).