1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole

C10H18N2 — CID 89092797

IUPAC1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole
SMILESC=CC1=NCCN1CC(C)(C)C
InChIInChI=1S/C10H18N2/c1-5-9-11-6-7-12(9)8-10(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyYPXPPWPPKQFBAO-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.93
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole

1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole (PubChem CID 89092797) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole
PubChem CID89092797
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole
SMILESC=CC1=NCCN1CC(C)(C)C
InChIInChI=1S/C10H18N2/c1-5-9-11-6-7-12(9)8-10(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyYPXPPWPPKQFBAO-UHFFFAOYSA-N
XLogP1.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole (CID 89092797) is 1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole is C=CC1=NCCN1CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole?
The InChIKey is YPXPPWPPKQFBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-9-11-6-7-12(9)8-10(2,3)4/h5H,1,6-8H2,2-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole?
1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole has a molecular weight of 166.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole is sourced from PubChem (CID 89092797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).