(4S)-4-phenanthren-9-ylimidazolidin-2-one

C17H14N2O — CID 171252796

IUPAC(4S)-4-phenanthren-9-ylimidazolidin-2-one
SMILESO=C1NC[C@H](c2cc3ccccc3c3ccccc23)N1
InChIInChI=1S/C17H14N2O/c20-17-18-10-16(19-17)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9,16H,10H2,(H2,18,19,20)/t16-/m1/s1
InChIKeyCZGOXKRNEVMCBZ-MRXNPFEDSA-N
MW262.31 g/mol
LogP3.35
Rot. Bonds1

About (4S)-4-phenanthren-9-ylimidazolidin-2-one

(4S)-4-phenanthren-9-ylimidazolidin-2-one (PubChem CID 171252796) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (4S)-4-phenanthren-9-ylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-phenanthren-9-ylimidazolidin-2-one
PubChem CID171252796
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(4S)-4-phenanthren-9-ylimidazolidin-2-one
SMILESO=C1NC[C@H](c2cc3ccccc3c3ccccc23)N1
InChIInChI=1S/C17H14N2O/c20-17-18-10-16(19-17)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9,16H,10H2,(H2,18,19,20)/t16-/m1/s1
InChIKeyCZGOXKRNEVMCBZ-MRXNPFEDSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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(R)-N-(naphthalen-2-ylmethyl)-N-(pyrrolidin-3-yl)acetamide
CID 11572546
1-(3-phenylpropyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 52546186
1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 52546187
1-[(1S)-1-naphthalen-1-ylethyl]-3-(3-phenylpropyl)urea
CID 127044928
1-[(1R)-1-naphthalen-1-ylethyl]-3-(3-phenylpropyl)urea
CID 127044929
4,5-Diphenyl-2-imidazolidinone
CID 271075
N-[1-naphthyl(phenyl)methyl]urea
CID 2851554
1-(2,5-Dimethylbenzyl)imidazolidin-2-one
CID 3245633
Benzyl-dimethyl-[2-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-ethyl]-ammonium
CID 16125533
1-Biphenyl-2-ylmethyl-3,3-dimethyl-1-(S)-pyrrolidin-3-yl-urea
CID 44578375
(2E)-N-{(3R)-1-[(6-fluoro-2-naphthyl)methyl]pyrrolidin-3-yl}-3-phenylacrylamide
CID 45269392

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenanthren-9-ylimidazolidin-2-one?
The IUPAC name of (4S)-4-phenanthren-9-ylimidazolidin-2-one (CID 171252796) is (4S)-4-phenanthren-9-ylimidazolidin-2-one.
What is the SMILES notation for (4S)-4-phenanthren-9-ylimidazolidin-2-one?
The canonical SMILES for (4S)-4-phenanthren-9-ylimidazolidin-2-one is O=C1NC[C@H](c2cc3ccccc3c3ccccc23)N1.
What is the InChIKey of (4S)-4-phenanthren-9-ylimidazolidin-2-one?
The InChIKey is CZGOXKRNEVMCBZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-18-10-16(19-17)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9,16H,10H2,(H2,18,19,20)/t16-/m1/s1.
What are the key properties of (4S)-4-phenanthren-9-ylimidazolidin-2-one?
(4S)-4-phenanthren-9-ylimidazolidin-2-one has a molecular weight of 262.31 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenanthren-9-ylimidazolidin-2-one is sourced from PubChem (CID 171252796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).