2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole

C13H20N2 — CID 142521723

IUPAC2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole
SMILESCC1=C(C)C(C)CC(N2C=CNC2C)=C1
InChIInChI=1S/C13H20N2/c1-9-7-13(8-10(2)11(9)3)15-6-5-14-12(15)4/h5-7,10,12,14H,8H2,1-4H3
InChIKeyJHMZOIRPRYHTIO-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.97
Rot. Bonds1

About 2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole

2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole (PubChem CID 142521723) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole
PubChem CID142521723
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole
SMILESCC1=C(C)C(C)CC(N2C=CNC2C)=C1
InChIInChI=1S/C13H20N2/c1-9-7-13(8-10(2)11(9)3)15-6-5-14-12(15)4/h5-7,10,12,14H,8H2,1-4H3
InChIKeyJHMZOIRPRYHTIO-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole?
The IUPAC name of 2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole (CID 142521723) is 2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole.
What is the SMILES notation for 2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole?
The canonical SMILES for 2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole is CC1=C(C)C(C)CC(N2C=CNC2C)=C1.
What is the InChIKey of 2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole?
The InChIKey is JHMZOIRPRYHTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-7-13(8-10(2)11(9)3)15-6-5-14-12(15)4/h5-7,10,12,14H,8H2,1-4H3.
What are the key properties of 2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole?
2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole has a molecular weight of 204.32 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3,4,5-trimethylcyclohexa-1,3-dien-1-yl)-1,2-dihydroimidazole is sourced from PubChem (CID 142521723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).