2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C19H24N4O — CID 128992767

IUPAC2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2cccc3c2CCC3)CC1c1nccn1C
InChIInChI=1S/C19H24N4O/c1-21-11-12-23(13-17(21)18-20-9-10-22(18)2)19(24)16-8-4-6-14-5-3-7-15(14)16/h4,6,8-10,17H,3,5,7,11-13H2,1-2H3
InChIKeyULLGTDKOPDBVAR-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.04
Rot. Bonds2

About 2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 128992767) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID128992767
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2cccc3c2CCC3)CC1c1nccn1C
InChIInChI=1S/C19H24N4O/c1-21-11-12-23(13-17(21)18-20-9-10-22(18)2)19(24)16-8-4-6-14-5-3-7-15(14)16/h4,6,8-10,17H,3,5,7,11-13H2,1-2H3
InChIKeyULLGTDKOPDBVAR-UHFFFAOYSA-N
XLogP2.04
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129478430
3-methyl-4-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]benzonitrile
CID 129475849
(2,4-dimethylpyrimidin-5-yl)-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129479039
(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478549
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128997376
(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129341721
(5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129474214
(5-fluoro-2-pyridinyl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128966106
[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 128992746
(4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478872
1H-indol-5-yl-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478992
1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129478608

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 128992767) is 2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is CN1CCN(C(=O)c2cccc3c2CCC3)CC1c1nccn1C.
What is the InChIKey of 2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is ULLGTDKOPDBVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-21-11-12-23(13-17(21)18-20-9-10-22(18)2)19(24)16-8-4-6-14-5-3-7-15(14)16/h4,6,8-10,17H,3,5,7,11-13H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 128992767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).