4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole

C21H22N2O2 — CID 44604574

IUPAC4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
SMILESc1ccc(CCC2(Cn3cnc(-c4ccccc4)c3)OCCO2)cc1
InChIInChI=1S/C21H22N2O2/c1-3-7-18(8-4-1)11-12-21(24-13-14-25-21)16-23-15-20(22-17-23)19-9-5-2-6-10-19/h1-10,15,17H,11-14,16H2
InChIKeyYUOOPZNFDAIWJN-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.93
Rot. Bonds6

About 4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole

4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole (PubChem CID 44604574) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
PubChem CID44604574
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
SMILESc1ccc(CCC2(Cn3cnc(-c4ccccc4)c3)OCCO2)cc1
InChIInChI=1S/C21H22N2O2/c1-3-7-18(8-4-1)11-12-21(24-13-14-25-21)16-23-15-20(22-17-23)19-9-5-2-6-10-19/h1-10,15,17H,11-14,16H2
InChIKeyYUOOPZNFDAIWJN-UHFFFAOYSA-N
XLogP3.93
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Azolyl-4-phenyl-2-butanone, 49a
CID 12816469
1-[[2-(2-Phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 25143347
1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 11962102
1-(2-Methoxy-ethyl)-5-phenyl-1H-imidazol-2-ylamine
CID 3160437
Ethyl 2-(5-phenylimidazol-1-yl)acetate
CID 155924214
1-Azolyl-4-phenyl-2-butanone, 56
CID 44604575
1-Azolyl-4-phenyl-2-butanone, 62
CID 44604580
5-Phenyl-1-(tetrahydro-furan-2-ylmethyl)-1H-imidazol-2-ylamine
CID 649754
6-Phenyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 12534483
N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 56792885
2-Benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine
CID 102604354
ethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate
CID 155924783

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
The IUPAC name of 4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole (CID 44604574) is 4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole.
What is the SMILES notation for 4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
The canonical SMILES for 4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole is c1ccc(CCC2(Cn3cnc(-c4ccccc4)c3)OCCO2)cc1.
What is the InChIKey of 4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
The InChIKey is YUOOPZNFDAIWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-7-18(8-4-1)11-12-21(24-13-14-25-21)16-23-15-20(22-17-23)19-9-5-2-6-10-19/h1-10,15,17H,11-14,16H2.
What are the key properties of 4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole has a molecular weight of 334.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole is sourced from PubChem (CID 44604574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).