2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole

C18H17N3 — CID 102970117

IUPAC2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(C3CNC3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3/c1-3-7-13(8-4-1)16-17(14-9-5-2-6-10-14)21-18(20-16)15-11-19-12-15/h1-10,15,19H,11-12H2,(H,20,21)
InChIKeyXYMXTOBVBRTNOE-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.43
Rot. Bonds3

About 2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole

2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole (PubChem CID 102970117) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole
PubChem CID102970117
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(C3CNC3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3/c1-3-7-13(8-4-1)16-17(14-9-5-2-6-10-14)21-18(20-16)15-11-19-12-15/h1-10,15,19H,11-12H2,(H,20,21)
InChIKeyXYMXTOBVBRTNOE-UHFFFAOYSA-N
XLogP3.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,5-diphenyl-1H-imidazol-2-yl)piperidine
CID 177339626
4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole
CID 78215114
4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one
CID 45232139
2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole
CID 67917501
4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 70998364
2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride
CID 19900729
4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105486703
3-(azetidin-3-yl)-2-phenylpyridine;hydrochloride
CID 67469210
[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
CID 10832716
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 59486734
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole (CID 102970117) is 2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole is c1ccc(-c2nc(C3CNC3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole?
The InChIKey is XYMXTOBVBRTNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-3-7-13(8-4-1)16-17(14-9-5-2-6-10-14)21-18(20-16)15-11-19-12-15/h1-10,15,19H,11-12H2,(H,20,21).
What are the key properties of 2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole?
2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole has a molecular weight of 275.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 102970117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).