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

C18H22N4O — CID 45250962

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one
SMILESCn1ccnc1CNC1CC(=O)N(C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H22N4O/c1-21-7-6-19-17(21)11-20-15-10-18(23)22(12-15)16-8-13-4-2-3-5-14(13)9-16/h2-7,15-16,20H,8-12H2,1H3
InChIKeyNDYZBHJHKHZKGX-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.28
Rot. Bonds4

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

1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one (PubChem CID 45250962) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one
PubChem CID45250962
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one
SMILESCn1ccnc1CNC1CC(=O)N(C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H22N4O/c1-21-7-6-19-17(21)11-20-15-10-18(23)22(12-15)16-8-13-4-2-3-5-14(13)9-16/h2-7,15-16,20H,8-12H2,1H3
InChIKeyNDYZBHJHKHZKGX-UHFFFAOYSA-N
XLogP1.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 45220820
N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60695151
1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 45223736
4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 45181871
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one
CID 45175983
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
N-[(1-methylimidazol-2-yl)methyl]-9H-fluoren-9-amine
CID 60695855
1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530343
methyl 4-[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 45240004
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 26315426

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one (CID 45250962) is 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one is Cn1ccnc1CNC1CC(=O)N(C2Cc3ccccc3C2)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one?
The InChIKey is NDYZBHJHKHZKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-21-7-6-19-17(21)11-20-15-10-18(23)22(12-15)16-8-13-4-2-3-5-14(13)9-16/h2-7,15-16,20H,8-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one?
1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one has a molecular weight of 310.40 g/mol, XLogP of 1.28, 4 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-methylimidazol-2-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 45250962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).