4,5-dimethylidene-1H-imidazole;ethane

C7H12N2 — CID 143274176

IUPAC4,5-dimethylidene-1H-imidazole;ethane
SMILESC=c1nc[nH]c1=C.CC
InChIInChI=1S/C5H6N2.C2H6/c1-4-5(2)7-3-6-4;1-2/h3H,1-2H2,(H,6,7);1-2H3
InChIKeyOOCWMKQZXCCKJN-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.26
Rot. Bonds

About 4,5-dimethylidene-1H-imidazole;ethane

4,5-dimethylidene-1H-imidazole;ethane (PubChem CID 143274176) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4,5-dimethylidene-1H-imidazole;ethane.

Molecular Properties

Compound Name4,5-dimethylidene-1H-imidazole;ethane
PubChem CID143274176
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4,5-dimethylidene-1H-imidazole;ethane
SMILESC=c1nc[nH]c1=C.CC
InChIInChI=1S/C5H6N2.C2H6/c1-4-5(2)7-3-6-4;1-2/h3H,1-2H2,(H,6,7);1-2H3
InChIKeyOOCWMKQZXCCKJN-UHFFFAOYSA-N
XLogP0.26
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-5-methylidene-1H-imidazole
CID 58182893
5-Methylidene-1,4-dihydroimidazole
CID 58182899
4,5-dimethylidene-1H-imidazole
CID 85755021
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
(4E,5E)-4,5-di(ethylidene)-1H-imidazole
CID 90084299
5-methylidene-4-propan-2-ylidene-1H-imidazole
CID 90834861
4,5-bis(ethenylidene)-1H-imidazole
CID 118132034
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 123668500
1,1-Dimethyl-4,5-dimethylideneimidazol-1-ium
CID 123701856
1-Methyl-4,5-dimethylideneimidazole
CID 123744878
(4E)-4-but-2-enylidene-5-methylidene-1H-imidazole
CID 124018396
6-methylidene-1H-pyrimidin-5-amine
CID 126593515

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylidene-1H-imidazole;ethane?
The IUPAC name of 4,5-dimethylidene-1H-imidazole;ethane (CID 143274176) is 4,5-dimethylidene-1H-imidazole;ethane.
What is the SMILES notation for 4,5-dimethylidene-1H-imidazole;ethane?
The canonical SMILES for 4,5-dimethylidene-1H-imidazole;ethane is C=c1nc[nH]c1=C.CC.
What is the InChIKey of 4,5-dimethylidene-1H-imidazole;ethane?
The InChIKey is OOCWMKQZXCCKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C2H6/c1-4-5(2)7-3-6-4;1-2/h3H,1-2H2,(H,6,7);1-2H3.
What are the key properties of 4,5-dimethylidene-1H-imidazole;ethane?
4,5-dimethylidene-1H-imidazole;ethane has a molecular weight of 124.19 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylidene-1H-imidazole;ethane is sourced from PubChem (CID 143274176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).