ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole

C12H22N2 — CID 178116814

IUPACethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole
SMILESCC.CC/C=c1/ncn(C)/c1=C/CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-6-9-10(7-5-2)12(3)8-11-9;1-2/h6-8H,4-5H2,1-3H3;1-2H3/b9-6+,10-7+;
InChIKeyZOUAIRKLXBOFTM-BHSKDUGMSA-N
MW194.32 g/mol
LogP1.83
Rot. Bonds2

About ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole

ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole (PubChem CID 178116814) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole.

Molecular Properties

Compound Nameethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole
PubChem CID178116814
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole
SMILESCC.CC/C=c1/ncn(C)/c1=C/CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-6-9-10(7-5-2)12(3)8-11-9;1-2/h6-8H,4-5H2,1-3H3;1-2H3/b9-6+,10-7+;
InChIKeyZOUAIRKLXBOFTM-BHSKDUGMSA-N
XLogP1.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole
CID 138535079
3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708940
2-[5-[Bis(dimethylamino)methylideneamino]cyclopenta-1,4-dien-1-yl]-1,1,3,3-tetramethylguanidine
CID 71037911
5-(2-Chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole
CID 123173232
N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine
CID 123218601
N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide
CID 123417471
5-Ethylidene-1-methyl-4-methylideneimidazole
CID 123678686
5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736
4-But-3-en-2-ylidene-5-ethylidene-1-methylimidazole
CID 123878865
5-(2-Chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole
CID 123991948
(4E,5E)-4,5-di(ethylidene)-1-methylimidazole
CID 130427202
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)imidazole
CID 130427315

Frequently Asked Questions

What is the IUPAC name of ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole?
The IUPAC name of ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole (CID 178116814) is ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole.
What is the SMILES notation for ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole?
The canonical SMILES for ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole is CC.CC/C=c1/ncn(C)/c1=C/CC.
What is the InChIKey of ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole?
The InChIKey is ZOUAIRKLXBOFTM-BHSKDUGMSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-4-6-9-10(7-5-2)12(3)8-11-9;1-2/h6-8H,4-5H2,1-3H3;1-2H3/b9-6+,10-7+;.
What are the key properties of ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole?
ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole has a molecular weight of 194.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole is sourced from PubChem (CID 178116814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).