(4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine

C16H22N2 — CID 142077573

IUPAC(4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine
SMILESC=Cc1cccc(C[C@H]2CNC(C)(C)N2)c1C=C
InChIInChI=1S/C16H22N2/c1-5-12-8-7-9-13(15(12)6-2)10-14-11-17-16(3,4)18-14/h5-9,14,17-18H,1-2,10-11H2,3-4H3/t14-/m0/s1
InChIKeyKOIKOIHOLISGMD-AWEZNQCLSA-N
MW242.37 g/mol
LogP2.81
Rot. Bonds4

About (4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine

(4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine (PubChem CID 142077573) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine.

Molecular Properties

Compound Name(4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine
PubChem CID142077573
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine
SMILESC=Cc1cccc(C[C@H]2CNC(C)(C)N2)c1C=C
InChIInChI=1S/C16H22N2/c1-5-12-8-7-9-13(15(12)6-2)10-14-11-17-16(3,4)18-14/h5-9,14,17-18H,1-2,10-11H2,3-4H3/t14-/m0/s1
InChIKeyKOIKOIHOLISGMD-AWEZNQCLSA-N
XLogP2.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine?
The IUPAC name of (4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine (CID 142077573) is (4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine.
What is the SMILES notation for (4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine?
The canonical SMILES for (4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine is C=Cc1cccc(C[C@H]2CNC(C)(C)N2)c1C=C.
What is the InChIKey of (4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine?
The InChIKey is KOIKOIHOLISGMD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-12-8-7-9-13(15(12)6-2)10-14-11-17-16(3,4)18-14/h5-9,14,17-18H,1-2,10-11H2,3-4H3/t14-/m0/s1.
What are the key properties of (4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine?
(4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine has a molecular weight of 242.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[2,3-bis(ethenyl)phenyl]methyl]-2,2-dimethylimidazolidine is sourced from PubChem (CID 142077573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).