2-(3-nitrophenyl)-1-phenylimidazolidine

C15H15N3O2 — CID 100951360

IUPAC2-(3-nitrophenyl)-1-phenylimidazolidine
SMILESO=[N+]([O-])c1cccc(C2NCCN2c2ccccc2)c1
InChIInChI=1S/C15H15N3O2/c19-18(20)14-8-4-5-12(11-14)15-16-9-10-17(15)13-6-2-1-3-7-13/h1-8,11,15-16H,9-10H2
InChIKeyQCSMVZLGUXHZQH-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.70
Rot. Bonds3

About 2-(3-nitrophenyl)-1-phenylimidazolidine

2-(3-nitrophenyl)-1-phenylimidazolidine (PubChem CID 100951360) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-1-phenylimidazolidine.

Molecular Properties

Compound Name2-(3-nitrophenyl)-1-phenylimidazolidine
PubChem CID100951360
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(3-nitrophenyl)-1-phenylimidazolidine
SMILESO=[N+]([O-])c1cccc(C2NCCN2c2ccccc2)c1
InChIInChI=1S/C15H15N3O2/c19-18(20)14-8-4-5-12(11-14)15-16-9-10-17(15)13-6-2-1-3-7-13/h1-8,11,15-16H,9-10H2
InChIKeyQCSMVZLGUXHZQH-UHFFFAOYSA-N
XLogP2.70
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-nitrophenyl)-1-phenyl-1,2,4-triazolidin-3-one
CID 167840549
2-(3-bromophenyl)-1-(3-chlorophenyl)imidazolidine
CID 100951353
1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
CID 101127745
1-(3-nitrophenyl)piperazine
CID 2760216
1-[(1R,2S)-2-methyl-2-phenylcyclopropyl]-3-nitrobenzene
CID 134969429
(3S,4S)-4-(3-nitrophenyl)-1,3-diphenylazetidin-2-one
CID 102287574
1-(3-nitrophenyl)piperazine;hydrochloride
CID 2760215
(2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 41064449
2-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline
CID 14980700
3-(4-fluorophenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 2857755
2-(3-nitrophenyl)-1,3-dihydroisoindole
CID 698272
(2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 29429467

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-1-phenylimidazolidine?
The IUPAC name of 2-(3-nitrophenyl)-1-phenylimidazolidine (CID 100951360) is 2-(3-nitrophenyl)-1-phenylimidazolidine.
What is the SMILES notation for 2-(3-nitrophenyl)-1-phenylimidazolidine?
The canonical SMILES for 2-(3-nitrophenyl)-1-phenylimidazolidine is O=[N+]([O-])c1cccc(C2NCCN2c2ccccc2)c1.
What is the InChIKey of 2-(3-nitrophenyl)-1-phenylimidazolidine?
The InChIKey is QCSMVZLGUXHZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-18(20)14-8-4-5-12(11-14)15-16-9-10-17(15)13-6-2-1-3-7-13/h1-8,11,15-16H,9-10H2.
What are the key properties of 2-(3-nitrophenyl)-1-phenylimidazolidine?
2-(3-nitrophenyl)-1-phenylimidazolidine has a molecular weight of 269.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-1-phenylimidazolidine is sourced from PubChem (CID 100951360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).