1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole

C12H20N2O — CID 58864120

IUPAC1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole
SMILESCC[C@H]1O[C@@H](n2cnc(C)c2)[C@@H](C)C1C
InChIInChI=1S/C12H20N2O/c1-5-11-9(3)10(4)12(15-11)14-6-8(2)13-7-14/h6-7,9-12H,5H2,1-4H3/t9?,10-,11+,12+/m0/s1
InChIKeyFDLAWVCZZBOJIU-FGHRXAJISA-N
MW208.30 g/mol
LogP2.77
Rot. Bonds2

About 1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole

1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole (PubChem CID 58864120) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole.

Molecular Properties

Compound Name1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole
PubChem CID58864120
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole
SMILESCC[C@H]1O[C@@H](n2cnc(C)c2)[C@@H](C)C1C
InChIInChI=1S/C12H20N2O/c1-5-11-9(3)10(4)12(15-11)14-6-8(2)13-7-14/h6-7,9-12H,5H2,1-4H3/t9?,10-,11+,12+/m0/s1
InChIKeyFDLAWVCZZBOJIU-FGHRXAJISA-N
XLogP2.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole?
The IUPAC name of 1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole (CID 58864120) is 1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole.
What is the SMILES notation for 1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole?
The canonical SMILES for 1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole is CC[C@H]1O[C@@H](n2cnc(C)c2)[C@@H](C)C1C.
What is the InChIKey of 1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole?
The InChIKey is FDLAWVCZZBOJIU-FGHRXAJISA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-11-9(3)10(4)12(15-11)14-6-8(2)13-7-14/h6-7,9-12H,5H2,1-4H3/t9?,10-,11+,12+/m0/s1.
What are the key properties of 1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole?
1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole has a molecular weight of 208.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole is sourced from PubChem (CID 58864120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).