1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one

C16H22N4O — CID 82824930

IUPAC1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(NC2CCN3CCCC23)cc1
InChIInChI=1S/C16H22N4O/c21-16-17-8-11-20(16)13-5-3-12(4-6-13)18-14-7-10-19-9-1-2-15(14)19/h3-6,14-15,18H,1-2,7-11H2,(H,17,21)
InChIKeyLQNFCZLSLGCUKA-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.86
Rot. Bonds3

About 1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one

1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one (PubChem CID 82824930) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one
PubChem CID82824930
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(NC2CCN3CCCC23)cc1
InChIInChI=1S/C16H22N4O/c21-16-17-8-11-20(16)13-5-3-12(4-6-13)18-14-7-10-19-9-1-2-15(14)19/h3-6,14-15,18H,1-2,7-11H2,(H,17,21)
InChIKeyLQNFCZLSLGCUKA-UHFFFAOYSA-N
XLogP1.86
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one
CID 61308981
N-(4-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853442
6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 82824593
5-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]-1,2-dihydropyrazol-3-one
CID 82823553
1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one
CID 43724834
1-[4-(1-cyclopentylethylamino)phenyl]imidazolidin-2-one
CID 62631563
1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one
CID 106637474
N-(3,4-dichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853706
N-[4-(difluoromethylsulfanyl)phenyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853200
N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79593546
2-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)benzoic acid
CID 113419764
1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
CID 113296281

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one (CID 82824930) is 1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one is O=C1NCCN1c1ccc(NC2CCN3CCCC23)cc1.
What is the InChIKey of 1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one?
The InChIKey is LQNFCZLSLGCUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c21-16-17-8-11-20(16)13-5-3-12(4-6-13)18-14-7-10-19-9-1-2-15(14)19/h3-6,14-15,18H,1-2,7-11H2,(H,17,21).
What are the key properties of 1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one?
1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one has a molecular weight of 286.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one is sourced from PubChem (CID 82824930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).