1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one

C15H19N3O — CID 64530762

IUPAC1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1Cc1ncc[nH]1)CC(C)(C)CC2=O
InChIInChI=1S/C15H19N3O/c1-10-6-11-12(7-15(2,3)8-13(11)19)18(10)9-14-16-4-5-17-14/h4-6H,7-9H2,1-3H3,(H,16,17)
InChIKeySWGSLNUDENMNEI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.72
Rot. Bonds2

About 1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one

1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one (PubChem CID 64530762) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
PubChem CID64530762
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1Cc1ncc[nH]1)CC(C)(C)CC2=O
InChIInChI=1S/C15H19N3O/c1-10-6-11-12(7-15(2,3)8-13(11)19)18(10)9-14-16-4-5-17-14/h4-6H,7-9H2,1-3H3,(H,16,17)
InChIKeySWGSLNUDENMNEI-UHFFFAOYSA-N
XLogP2.72
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one
CID 62848113
1-(2-ethoxy-2-methylpropyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 114944020
1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63563385
2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one
CID 114389230
4-(1H-imidazol-2-ylmethyl)-1,2,4-triazolidine-3,5-dione
CID 107409789
1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one
CID 20864880
1-(3,4-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 3247774
1-(3,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267549
6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one
CID 50741940
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 114389225
1-(1,3-dimethylpyrazol-4-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 102807165
1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 63466591

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one (CID 64530762) is 1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is Cc1cc2c(n1Cc1ncc[nH]1)CC(C)(C)CC2=O.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The InChIKey is SWGSLNUDENMNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-6-11-12(7-15(2,3)8-13(11)19)18(10)9-14-16-4-5-17-14/h4-6H,7-9H2,1-3H3,(H,16,17).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one has a molecular weight of 257.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 64530762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).