1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one

C13H15N3O — CID 63563385

IUPAC1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2ccn(-c3ncc[nH]3)c2C1
InChIInChI=1S/C13H15N3O/c1-13(2)7-10-9(11(17)8-13)3-6-16(10)12-14-4-5-15-12/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyJGCXLGZGVAOSPW-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.36
Rot. Bonds1

About 1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one

1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one (PubChem CID 63563385) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one
PubChem CID63563385
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2ccn(-c3ncc[nH]3)c2C1
InChIInChI=1S/C13H15N3O/c1-13(2)7-10-9(11(17)8-13)3-6-16(10)12-14-4-5-15-12/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyJGCXLGZGVAOSPW-UHFFFAOYSA-N
XLogP2.36
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one (CID 63563385) is 1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one is CC1(C)CC(=O)c2ccn(-c3ncc[nH]3)c2C1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The InChIKey is JGCXLGZGVAOSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-13(2)7-10-9(11(17)8-13)3-6-16(10)12-14-4-5-15-12/h3-6H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one?
1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one has a molecular weight of 229.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 63563385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).