1-methyl-4,5-dimethylideneimidazole

C6H8N2 — CID 123744878

IUPAC1-methyl-4,5-dimethylideneimidazole
SMILESC=c1ncn(C)c1=C
InChIInChI=1S/C6H8N2/c1-5-6(2)8(3)4-7-5/h4H,1-2H2,3H3
InChIKeyAKBXNBHVNAXPDE-UHFFFAOYSA-N
MW108.14 g/mol
LogP-0.76
Rot. Bonds

About 1-methyl-4,5-dimethylideneimidazole

1-methyl-4,5-dimethylideneimidazole (PubChem CID 123744878) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 1-methyl-4,5-dimethylideneimidazole.

Molecular Properties

Compound Name1-methyl-4,5-dimethylideneimidazole
PubChem CID123744878
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name1-methyl-4,5-dimethylideneimidazole
SMILESC=c1ncn(C)c1=C
InChIInChI=1S/C6H8N2/c1-5-6(2)8(3)4-7-5/h4H,1-2H2,3H3
InChIKeyAKBXNBHVNAXPDE-UHFFFAOYSA-N
XLogP-0.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Fluoromethyl)-4,5-dimethylideneimidazole
CID 123863810
1-Prop-1-en-2-yl-4,5-dihydroimidazole
CID 12159152
1-methyl-5-methylidene-4H-imidazole
CID 67978393
4,5-Dimethylidene-1-propan-2-ylimidazole
CID 123546523
5-Ethylidene-1-methyl-4-methylideneimidazole
CID 123678686
1,1-Dimethyl-4,5-dimethylideneimidazol-1-ium
CID 123701856
(4E,5E)-4,5-di(ethylidene)-1-methylimidazole
CID 130427202
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)imidazole
CID 130427315
1,2-Dimethyl-4,5-dimethylideneimidazole
CID 135128795
(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazole
CID 141977984
N-buta-1,3-dien-2-yl-N,N'-dimethylmethanimidamide
CID 142816451
4,5-dimethylidene-1H-imidazole;ethane
CID 143274176

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5-dimethylideneimidazole?
The IUPAC name of 1-methyl-4,5-dimethylideneimidazole (CID 123744878) is 1-methyl-4,5-dimethylideneimidazole.
What is the SMILES notation for 1-methyl-4,5-dimethylideneimidazole?
The canonical SMILES for 1-methyl-4,5-dimethylideneimidazole is C=c1ncn(C)c1=C.
What is the InChIKey of 1-methyl-4,5-dimethylideneimidazole?
The InChIKey is AKBXNBHVNAXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-5-6(2)8(3)4-7-5/h4H,1-2H2,3H3.
What are the key properties of 1-methyl-4,5-dimethylideneimidazole?
1-methyl-4,5-dimethylideneimidazole has a molecular weight of 108.14 g/mol, XLogP of -0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5-dimethylideneimidazole is sourced from PubChem (CID 123744878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).