3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one

C13H12N2O — CID 22897475

IUPAC3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one
SMILESCC1C(=O)c2ccccc2C1c1cnc[nH]1
InChIInChI=1S/C13H12N2O/c1-8-12(11-6-14-7-15-11)9-4-2-3-5-10(9)13(8)16/h2-8,12H,1H3,(H,14,15)
InChIKeyUEUXANYQJOGSPK-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.37
Rot. Bonds1

About 3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one

3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one (PubChem CID 22897475) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one
PubChem CID22897475
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one
SMILESCC1C(=O)c2ccccc2C1c1cnc[nH]1
InChIInChI=1S/C13H12N2O/c1-8-12(11-6-14-7-15-11)9-4-2-3-5-10(9)13(8)16/h2-8,12H,1H3,(H,14,15)
InChIKeyUEUXANYQJOGSPK-UHFFFAOYSA-N
XLogP2.37
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one
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3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 59874658
4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one
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1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one
CID 86001889
bis[2-(1H-imidazol-5-yl)phenyl]methanone
CID 118549351
(2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one
CID 70456642
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CID 53475427

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one (CID 22897475) is 3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one is CC1C(=O)c2ccccc2C1c1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is UEUXANYQJOGSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8-12(11-6-14-7-15-11)9-4-2-3-5-10(9)13(8)16/h2-8,12H,1H3,(H,14,15).
What are the key properties of 3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one?
3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 212.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 22897475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).