1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole

C18H19N3 — CID 146451039

IUPAC1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole
SMILESC1=CN(C2CNC2)CN1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)20-10-11-21(14-20)18-12-19-13-18/h1-11,18-19H,12-14H2
InChIKeyXGAYXRQXRRGKPB-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.88
Rot. Bonds3

About 1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole

1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole (PubChem CID 146451039) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole
PubChem CID146451039
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole
SMILESC1=CN(C2CNC2)CN1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)20-10-11-21(14-20)18-12-19-13-18/h1-11,18-19H,12-14H2
InChIKeyXGAYXRQXRRGKPB-UHFFFAOYSA-N
XLogP2.88
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
CID 175499601
1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole
CID 164783131
1-(4-fluorophenyl)-3-phenyl-2H-imidazole
CID 59404000
1-(4-iodophenyl)-3-phenyl-2H-imidazole
CID 69494729
6-phenyl-3,6-diazabicyclo[3.1.1]heptane
CID 134243168
(3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol
CID 87937359
2-methyl-6-(4-phenylphenyl)morpholine
CID 43367004
1-(azetidin-3-yl)-4-phenylpyridin-2-one
CID 141397880
1-(4-phenylphenyl)aziridine
CID 152682568
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
(3R)-3-methyl-1-(4-phenylphenyl)piperazine
CID 58223220

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole?
The IUPAC name of 1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole (CID 146451039) is 1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole.
What is the SMILES notation for 1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole?
The canonical SMILES for 1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole is C1=CN(C2CNC2)CN1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole?
The InChIKey is XGAYXRQXRRGKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)20-10-11-21(14-20)18-12-19-13-18/h1-11,18-19H,12-14H2.
What are the key properties of 1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole?
1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole has a molecular weight of 277.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole is sourced from PubChem (CID 146451039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).