2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole

C14H22N2 — CID 126634630

IUPAC2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole
SMILESCC1=CC(C)(C)C(N2C=CNC2C)C(C)=C1
InChIInChI=1S/C14H22N2/c1-10-8-11(2)13(14(4,5)9-10)16-7-6-15-12(16)3/h6-9,12-13,15H,1-5H3
InChIKeyFWVVLFDRUPBHBD-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.01
Rot. Bonds1

About 2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole

2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole (PubChem CID 126634630) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole
PubChem CID126634630
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole
SMILESCC1=CC(C)(C)C(N2C=CNC2C)C(C)=C1
InChIInChI=1S/C14H22N2/c1-10-8-11(2)13(14(4,5)9-10)16-7-6-15-12(16)3/h6-9,12-13,15H,1-5H3
InChIKeyFWVVLFDRUPBHBD-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole?
The IUPAC name of 2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole (CID 126634630) is 2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole.
What is the SMILES notation for 2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole?
The canonical SMILES for 2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole is CC1=CC(C)(C)C(N2C=CNC2C)C(C)=C1.
What is the InChIKey of 2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole?
The InChIKey is FWVVLFDRUPBHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-8-11(2)13(14(4,5)9-10)16-7-6-15-12(16)3/h6-9,12-13,15H,1-5H3.
What are the key properties of 2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole?
2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole has a molecular weight of 218.34 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole is sourced from PubChem (CID 126634630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).