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

C16H20N2O2 — CID 20547788

IUPAC1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole
SMILESCc1cccc(CC2(CCn3ccnc3)OCCO2)c1
InChIInChI=1S/C16H20N2O2/c1-14-3-2-4-15(11-14)12-16(19-9-10-20-16)5-7-18-8-6-17-13-18/h2-4,6,8,11,13H,5,7,9-10,12H2,1H3
InChIKeyWPKCQWYILHKSGY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.57
Rot. Bonds5

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

1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole (PubChem CID 20547788) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole
PubChem CID20547788
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole
SMILESCc1cccc(CC2(CCn3ccnc3)OCCO2)c1
InChIInChI=1S/C16H20N2O2/c1-14-3-2-4-15(11-14)12-16(19-9-10-20-16)5-7-18-8-6-17-13-18/h2-4,6,8,11,13H,5,7,9-10,12H2,1H3
InChIKeyWPKCQWYILHKSGY-UHFFFAOYSA-N
XLogP2.57
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole?
The IUPAC name of 1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole (CID 20547788) is 1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole is Cc1cccc(CC2(CCn3ccnc3)OCCO2)c1.
What is the InChIKey of 1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole?
The InChIKey is WPKCQWYILHKSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-14-3-2-4-15(11-14)12-16(19-9-10-20-16)5-7-18-8-6-17-13-18/h2-4,6,8,11,13H,5,7,9-10,12H2,1H3.
What are the key properties of 1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole?
1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole has a molecular weight of 272.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole is sourced from PubChem (CID 20547788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).