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

C12H11ClN2O2 — CID 174800005

IUPAC1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole
SMILESClc1ccc(C2(n3ccnc3)OCCO2)cc1
InChIInChI=1S/C12H11ClN2O2/c13-11-3-1-10(2-4-11)12(16-7-8-17-12)15-6-5-14-9-15/h1-6,9H,7-8H2
InChIKeyLBKDVJKGCQYZLN-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.24
Rot. Bonds2

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

1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole (PubChem CID 174800005) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole
PubChem CID174800005
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole
SMILESClc1ccc(C2(n3ccnc3)OCCO2)cc1
InChIInChI=1S/C12H11ClN2O2/c13-11-3-1-10(2-4-11)12(16-7-8-17-12)15-6-5-14-9-15/h1-6,9H,7-8H2
InChIKeyLBKDVJKGCQYZLN-UHFFFAOYSA-N
XLogP2.24
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70545882
1-(2-methyl-1,3-dioxolan-2-yl)imidazole
CID 66688291
1-[[(2R,4S)-2-(2,4-difluorophenyl)-2-imidazol-1-yl-1,3-dioxolan-4-yl]methyl]imidazole
CID 3009137
(4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride
CID 70471779
4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde
CID 12925058
(3S,5S)-3-(4-chlorophenyl)-3-imidazol-1-yl-2-methyl-5-[(4-nitrophenyl)sulfanylmethyl]-1,2-oxazolidine
CID 6482636
N-(4-chlorophenyl)imidazol-1-amine
CID 150116465
1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole
CID 2783908
3-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazole
CID 143443854
1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547718
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride
CID 19429364
1-[[2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 13208069

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole?
The IUPAC name of 1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole (CID 174800005) is 1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole is Clc1ccc(C2(n3ccnc3)OCCO2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole?
The InChIKey is LBKDVJKGCQYZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-11-3-1-10(2-4-11)12(16-7-8-17-12)15-6-5-14-9-15/h1-6,9H,7-8H2.
What are the key properties of 1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole?
1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole has a molecular weight of 250.69 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole is sourced from PubChem (CID 174800005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).