(5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane

C11H18N2 — CID 142961637

IUPAC(5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane
SMILESC=C/C=c1\c(=C)nc(C)n1C.CC
InChIInChI=1S/C9H12N2.C2H6/c1-5-6-9-7(2)10-8(3)11(9)4;1-2/h5-6H,1-2H2,3-4H3;1-2H3/b9-6+;
InChIKeyUOLKKAUSUSZPEN-MLBSPLJJSA-N
MW178.28 g/mol
LogP1.13
Rot. Bonds1

About (5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane

(5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane (PubChem CID 142961637) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane.

Molecular Properties

Compound Name(5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane
PubChem CID142961637
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane
SMILESC=C/C=c1\c(=C)nc(C)n1C.CC
InChIInChI=1S/C9H12N2.C2H6/c1-5-6-9-7(2)10-8(3)11(9)4;1-2/h5-6H,1-2H2,3-4H3;1-2H3/b9-6+;
InChIKeyUOLKKAUSUSZPEN-MLBSPLJJSA-N
XLogP1.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dimethylbenzimidazole cobalt chloride
CID 129704091
Diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium
CID 23558529
2-methylidene-3H-imidazo[1,2-a]pyridine
CID 58182895
2-Methyl-1-phenyl-4,5-dihydroimidazole;tungsten
CID 58914513
1,2-dimethyl-4H-benzimidazol-4-ide;yttrium
CID 59890588
2,5-Dimethyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 89344976
(2R)-2,5-dimethyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 89703925
5-Ethylidene-2-methyl-4-methylidene-1-propan-2-ylimidazole
CID 90894415
N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine
CID 123218601
N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide
CID 123219770
1-Ethyl-4-methylidene-5-prop-2-enylideneimidazole
CID 123739949
N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide
CID 123888014

Frequently Asked Questions

What is the IUPAC name of (5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane?
The IUPAC name of (5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane (CID 142961637) is (5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane.
What is the SMILES notation for (5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane?
The canonical SMILES for (5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane is C=C/C=c1\c(=C)nc(C)n1C.CC.
What is the InChIKey of (5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane?
The InChIKey is UOLKKAUSUSZPEN-MLBSPLJJSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-5-6-9-7(2)10-8(3)11(9)4;1-2/h5-6H,1-2H2,3-4H3;1-2H3/b9-6+;.
What are the key properties of (5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane?
(5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane has a molecular weight of 178.28 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane is sourced from PubChem (CID 142961637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).