2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one

C16H14N2O — CID 102083892

IUPAC2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one
SMILESO=C1N(c2ccccc2)CC2Cc3ccccc3N12
InChIInChI=1S/C16H14N2O/c19-16-17(13-7-2-1-3-8-13)11-14-10-12-6-4-5-9-15(12)18(14)16/h1-9,14H,10-11H2
InChIKeyUGUHRAKUISTTPL-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.06
Rot. Bonds1

About 2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one

2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one (PubChem CID 102083892) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one.

Molecular Properties

Compound Name2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one
PubChem CID102083892
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one
SMILESO=C1N(c2ccccc2)CC2Cc3ccccc3N12
InChIInChI=1S/C16H14N2O/c19-16-17(13-7-2-1-3-8-13)11-14-10-12-6-4-5-9-15(12)18(14)16/h1-9,14H,10-11H2
InChIKeyUGUHRAKUISTTPL-UHFFFAOYSA-N
XLogP3.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one?
The IUPAC name of 2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one (CID 102083892) is 2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one.
What is the SMILES notation for 2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one?
The canonical SMILES for 2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one is O=C1N(c2ccccc2)CC2Cc3ccccc3N12.
What is the InChIKey of 2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one?
The InChIKey is UGUHRAKUISTTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16-17(13-7-2-1-3-8-13)11-14-10-12-6-4-5-9-15(12)18(14)16/h1-9,14H,10-11H2.
What are the key properties of 2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one?
2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one has a molecular weight of 250.30 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3a,4-dihydro-3H-imidazo[1,5-a]indol-1-one is sourced from PubChem (CID 102083892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).