4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole

C16H16N2O — CID 57130327

IUPAC4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole
SMILESc1ccc(COc2ccc(C3=NCNC3)cc2)cc1
InChIInChI=1S/C16H16N2O/c1-2-4-13(5-3-1)11-19-15-8-6-14(7-9-15)16-10-17-12-18-16/h1-9,17H,10-12H2
InChIKeyZSBYSMUOXHHWHX-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.62
Rot. Bonds4

About 4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole

4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole (PubChem CID 57130327) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole
PubChem CID57130327
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole
SMILESc1ccc(COc2ccc(C3=NCNC3)cc2)cc1
InChIInChI=1S/C16H16N2O/c1-2-4-13(5-3-1)11-19-15-8-6-14(7-9-15)16-10-17-12-18-16/h1-9,17H,10-12H2
InChIKeyZSBYSMUOXHHWHX-UHFFFAOYSA-N
XLogP2.62
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 141093047
[5-(4-phenylmethoxyphenyl)-1,2-oxazol-3-yl]methanethiol
CID 165479755
4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 43322647
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole
CID 50886955
5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491
4-(4-phenylmethoxyphenyl)-2,3-dihydropyridine
CID 172710264
2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine
CID 174577128
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
4-phenylmethoxyaniline
CID 159966727

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole?
The IUPAC name of 4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole (CID 57130327) is 4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole.
What is the SMILES notation for 4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole?
The canonical SMILES for 4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole is c1ccc(COc2ccc(C3=NCNC3)cc2)cc1.
What is the InChIKey of 4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole?
The InChIKey is ZSBYSMUOXHHWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-4-13(5-3-1)11-19-15-8-6-14(7-9-15)16-10-17-12-18-16/h1-9,17H,10-12H2.
What are the key properties of 4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole?
4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole has a molecular weight of 252.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole is sourced from PubChem (CID 57130327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).