1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole

C15H17ClN2O2 — CID 11500273

IUPAC1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
SMILESClc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
InChIInChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
InChIKeyNPIOYRIZNLPLDH-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.91
Rot. Bonds5

About 1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole

1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole (PubChem CID 11500273) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
PubChem CID11500273
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
SMILESClc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
InChIInChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
InChIKeyNPIOYRIZNLPLDH-UHFFFAOYSA-N
XLogP2.91
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol
CID 2724686
Oxpoconazole
CID 11348992
Parconazole
CID 3047814
1-(((2R,4R)-2-(4-chlorophenethyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-imidazole hydrochloride
CID 11624321
1-Azolyl-4-phenyl-2-butanone, 49a
CID 12816469
1-[[2-(2-Phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 25143347
Imidazole-dioxolane, 16
CID 42636947
OB 24 hydrochloride
CID 45265865
Imidazole-dioxolane, 12
CID 13104875
Imidazole-dioxolane, 3
CID 25142936
Imidazole-dioxolane, 31
CID 25143211
Imidazole-dioxolane, 32
CID 25143217

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole (CID 11500273) is 1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole is Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1.
What is the InChIKey of 1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
The InChIKey is NPIOYRIZNLPLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2.
What are the key properties of 1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole has a molecular weight of 292.77 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole is sourced from PubChem (CID 11500273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).