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

C15H17ClN2O2 — CID 70545882

IUPAC1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
SMILESClc1ccc(C2(CCCn3ccnc3)OCCO2)cc1
InChIInChI=1S/C15H17ClN2O2/c16-14-4-2-13(3-5-14)15(19-10-11-20-15)6-1-8-18-9-7-17-12-18/h2-5,7,9,12H,1,6,8,10-11H2
InChIKeyAMTMRVWWLLXZNO-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.22
Rot. Bonds5

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

1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole (PubChem CID 70545882) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole.

Molecular Properties

Compound Name1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
PubChem CID70545882
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
SMILESClc1ccc(C2(CCCn3ccnc3)OCCO2)cc1
InChIInChI=1S/C15H17ClN2O2/c16-14-4-2-13(3-5-14)15(19-10-11-20-15)6-1-8-18-9-7-17-12-18/h2-5,7,9,12H,1,6,8,10-11H2
InChIKeyAMTMRVWWLLXZNO-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
The IUPAC name of 1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole (CID 70545882) is 1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole.
What is the SMILES notation for 1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
The canonical SMILES for 1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole is Clc1ccc(C2(CCCn3ccnc3)OCCO2)cc1.
What is the InChIKey of 1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
The InChIKey is AMTMRVWWLLXZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-14-4-2-13(3-5-14)15(19-10-11-20-15)6-1-8-18-9-7-17-12-18/h2-5,7,9,12H,1,6,8,10-11H2.
What are the key properties of 1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole?
1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole has a molecular weight of 292.77 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole is sourced from PubChem (CID 70545882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).