1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one

C19H24N4O — CID 45220820

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one
SMILESCCn1ccnc1CNC1CC(=O)N(C2Cc3ccccc3C2)C1
InChIInChI=1S/C19H24N4O/c1-2-22-8-7-20-18(22)12-21-16-11-19(24)23(13-16)17-9-14-5-3-4-6-15(14)10-17/h3-8,16-17,21H,2,9-13H2,1H3
InChIKeyOOGWDJOEXWANGI-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.76
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one

1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one (PubChem CID 45220820) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one
PubChem CID45220820
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one
SMILESCCn1ccnc1CNC1CC(=O)N(C2Cc3ccccc3C2)C1
InChIInChI=1S/C19H24N4O/c1-2-22-8-7-20-18(22)12-21-16-11-19(24)23(13-16)17-9-14-5-3-4-6-15(14)10-17/h3-8,16-17,21H,2,9-13H2,1H3
InChIKeyOOGWDJOEXWANGI-UHFFFAOYSA-N
XLogP1.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 45250962
1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 45223736
5-[(1-ethylimidazol-2-yl)methylamino]piperidin-2-one
CID 63661533
N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
CID 115641638
1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one
CID 45175983
methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate
CID 45196937
1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62357775
N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112568401
N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471784
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-ethylbenzamide
CID 56888956
1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154888279
methyl 4-[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 45240004

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one (CID 45220820) is 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one is CCn1ccnc1CNC1CC(=O)N(C2Cc3ccccc3C2)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one?
The InChIKey is OOGWDJOEXWANGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-22-8-7-20-18(22)12-21-16-11-19(24)23(13-16)17-9-14-5-3-4-6-15(14)10-17/h3-8,16-17,21H,2,9-13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one?
1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one has a molecular weight of 324.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 45220820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).