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

C18H23ClN2O2 — CID 20548031

IUPAC1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole
SMILESCC(C)C1COC(CCc2cccc(Cl)c2)(Cn2ccnc2)O1
InChIInChI=1S/C18H23ClN2O2/c1-14(2)17-11-22-18(23-17,12-21-9-8-20-13-21)7-6-15-4-3-5-16(19)10-15/h3-5,8-10,13-14,17H,6-7,11-12H2,1-2H3
InChIKeyOKDOYXDEKFKTTN-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.94
Rot. Bonds6

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

1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole (PubChem CID 20548031) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole
PubChem CID20548031
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole
SMILESCC(C)C1COC(CCc2cccc(Cl)c2)(Cn2ccnc2)O1
InChIInChI=1S/C18H23ClN2O2/c1-14(2)17-11-22-18(23-17,12-21-9-8-20-13-21)7-6-15-4-3-5-16(19)10-15/h3-5,8-10,13-14,17H,6-7,11-12H2,1-2H3
InChIKeyOKDOYXDEKFKTTN-UHFFFAOYSA-N
XLogP3.94
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(2-phenylethyl)-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547790
1-[[2-[2-(3-chlorophenyl)ethyl]-4-ethyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547726
1-[[4-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547688
(3-bromophenyl)-[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanethiol;hydrochloride
CID 88547232
(3-bromophenyl)-[2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanethiol;hydrochloride
CID 87103278
1-[[4-[(3-chlorophenyl)methoxymethyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20508063
1-[[4-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547843
1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 11962103
1-[[4-[(3-chlorophenoxy)methyl]-2-[2-(4-methylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20507984
1-[[4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrobromide
CID 20547996
1-[[2-[2-(4-chlorophenyl)ethyl]-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547720
1-[[2-[2-(4-chlorophenyl)ethyl]-4-[(2,6-dimethylphenyl)sulfanylmethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 13104890

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole (CID 20548031) is 1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole is CC(C)C1COC(CCc2cccc(Cl)c2)(Cn2ccnc2)O1.
What is the InChIKey of 1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole?
The InChIKey is OKDOYXDEKFKTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-14(2)17-11-22-18(23-17,12-21-9-8-20-13-21)7-6-15-4-3-5-16(19)10-15/h3-5,8-10,13-14,17H,6-7,11-12H2,1-2H3.
What are the key properties of 1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole?
1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole has a molecular weight of 334.85 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(3-chlorophenyl)ethyl]-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole is sourced from PubChem (CID 20548031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).