4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole

C11H14N2 — CID 123437116

IUPAC4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole
SMILESC=C=c1ncn(C)c1=CC=C(C)C
InChIInChI=1S/C11H14N2/c1-5-10-11(7-6-9(2)3)13(4)8-12-10/h6-8H,1H2,2-4H3
InChIKeyUMELXUHHTOZYNC-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.73
Rot. Bonds1

About 4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole

4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole (PubChem CID 123437116) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole.

Molecular Properties

Compound Name4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole
PubChem CID123437116
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole
SMILESC=C=c1ncn(C)c1=CC=C(C)C
InChIInChI=1S/C11H14N2/c1-5-10-11(7-6-9(2)3)13(4)8-12-10/h6-8H,1H2,2-4H3
InChIKeyUMELXUHHTOZYNC-UHFFFAOYSA-N
XLogP0.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4H-benzimidazol-4-ide;yttrium
CID 59098102
3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708940
N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine
CID 123218601
5-Ethylidene-1-methyl-4-methylideneimidazole
CID 123678686
1-Ethyl-4-methylidene-5-prop-2-enylideneimidazole
CID 123739949
4-But-3-en-2-ylidene-5-ethylidene-1-methylimidazole
CID 123878865
(4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole
CID 126495002
(4E,5E)-4,5-di(ethylidene)-1-methylimidazole
CID 130427202
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)imidazole
CID 130427315
(4E)-4-[(E)-3-iodobut-2-enylidene]-1-methyl-5-methylideneimidazole
CID 138534952
(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazole
CID 141977984
1-[(3E)-hexa-1,3,5-trien-3-yl]-4,5-dihydroimidazole
CID 142936856

Frequently Asked Questions

What is the IUPAC name of 4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole?
The IUPAC name of 4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole (CID 123437116) is 4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole.
What is the SMILES notation for 4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole?
The canonical SMILES for 4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole is C=C=c1ncn(C)c1=CC=C(C)C.
What is the InChIKey of 4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole?
The InChIKey is UMELXUHHTOZYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-5-10-11(7-6-9(2)3)13(4)8-12-10/h6-8H,1H2,2-4H3.
What are the key properties of 4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole?
4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole has a molecular weight of 174.25 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole is sourced from PubChem (CID 123437116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).