1,4,5-trimethyl-4,5-dihydroimidazole

C6H12N2 — CID 54365470

IUPAC1,4,5-trimethyl-4,5-dihydroimidazole
SMILESCC1N=CN(C)C1C
InChIInChI=1S/C6H12N2/c1-5-6(2)8(3)4-7-5/h4-6H,1-3H3
InChIKeyJMZUMXFZBLCVCE-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.74
Rot. Bonds

About 1,4,5-trimethyl-4,5-dihydroimidazole

1,4,5-trimethyl-4,5-dihydroimidazole (PubChem CID 54365470) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1,4,5-trimethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1,4,5-trimethyl-4,5-dihydroimidazole
PubChem CID54365470
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1,4,5-trimethyl-4,5-dihydroimidazole
SMILESCC1N=CN(C)C1C
InChIInChI=1S/C6H12N2/c1-5-6(2)8(3)4-7-5/h4-6H,1-3H3
InChIKeyJMZUMXFZBLCVCE-UHFFFAOYSA-N
XLogP0.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Di(propan-2-yl)-4,5-dihydroimidazol-1-ium
CID 499184
1H-Imidazole, 4,5-dihydro-1-methyl-
CID 3744783
1-Butyl-4,5-dihydro-1H-imidazole
CID 12386885
N-(i-propyl)imidazolidine-2-selenone
CID 12981032
Propylimidazoline
CID 18667842
1,3-Dimethyl-4,5-dihydroimidazol-1-ium
CID 20238538
1,1-Dimethyl-4,5-dihydroimidazol-1-ium
CID 21977283
1,3,4,5-Tetramethyl-4,5-dihydroimidazol-1-ium
CID 91506433
1-Methyl-4-(trifluoromethyl)-4,5-dihydroimidazole
CID 123358722
1-(2-Fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole
CID 155110830
1-(2-Fluoroethyl)-4-(fluoromethyl)-4,5-dihydroimidazole
CID 173378803
1-(Difluoromethyl)-4-ethyl-4,5-dihydroimidazole
CID 173378807

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-4,5-dihydroimidazole?
The IUPAC name of 1,4,5-trimethyl-4,5-dihydroimidazole (CID 54365470) is 1,4,5-trimethyl-4,5-dihydroimidazole.
What is the SMILES notation for 1,4,5-trimethyl-4,5-dihydroimidazole?
The canonical SMILES for 1,4,5-trimethyl-4,5-dihydroimidazole is CC1N=CN(C)C1C.
What is the InChIKey of 1,4,5-trimethyl-4,5-dihydroimidazole?
The InChIKey is JMZUMXFZBLCVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-6(2)8(3)4-7-5/h4-6H,1-3H3.
What are the key properties of 1,4,5-trimethyl-4,5-dihydroimidazole?
1,4,5-trimethyl-4,5-dihydroimidazole has a molecular weight of 112.18 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-4,5-dihydroimidazole is sourced from PubChem (CID 54365470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).