1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one

C16H19N3O — CID 43783655

IUPAC1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1cccc(NC2CC3CC=CC32)c1
InChIInChI=1S/C16H19N3O/c20-16-17-7-8-19(16)13-5-2-4-12(10-13)18-15-9-11-3-1-6-14(11)15/h1-2,4-6,10-11,14-15,18H,3,7-9H2,(H,17,20)
InChIKeyAOVQTIDSYSJDHZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.59
Rot. Bonds3

About 1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one

1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one (PubChem CID 43783655) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one
PubChem CID43783655
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1cccc(NC2CC3CC=CC32)c1
InChIInChI=1S/C16H19N3O/c20-16-17-7-8-19(16)13-5-2-4-12(10-13)18-15-9-11-3-1-6-14(11)15/h1-2,4-6,10-11,14-15,18H,3,7-9H2,(H,17,20)
InChIKeyAOVQTIDSYSJDHZ-UHFFFAOYSA-N
XLogP2.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43762853
1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one
CID 43696521
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
1-[3-(dicyclopropylmethylamino)phenyl]imidazolidin-2-one
CID 43696697
1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one
CID 61308981
4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 55738184
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43789664
4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672792
2-cyclopentyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 71938993
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
1-[3-(2-methylpentan-3-ylamino)phenyl]imidazolidin-2-one
CID 43783652
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one (CID 43783655) is 1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one is O=C1NCCN1c1cccc(NC2CC3CC=CC32)c1.
What is the InChIKey of 1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one?
The InChIKey is AOVQTIDSYSJDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16-17-7-8-19(16)13-5-2-4-12(10-13)18-15-9-11-3-1-6-14(11)15/h1-2,4-6,10-11,14-15,18H,3,7-9H2,(H,17,20).
What are the key properties of 1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one?
1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one has a molecular weight of 269.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one is sourced from PubChem (CID 43783655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).