(4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole

C12H18N2 — CID 142371540

IUPAC(4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole
SMILESC/C=C(\C)c1nc(=C/C)/c(=C\C)n1C
InChIInChI=1S/C12H18N2/c1-6-9(4)12-13-10(7-2)11(8-3)14(12)5/h6-8H,1-5H3/b9-6+,10-7+,11-8+
InChIKeyBOGRHALVKQYTLJ-CVHBYRGMSA-N
MW190.29 g/mol
LogP1.44
Rot. Bonds1

About (4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole

(4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole (PubChem CID 142371540) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole.

Molecular Properties

Compound Name(4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole
PubChem CID142371540
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole
SMILESC/C=C(\C)c1nc(=C/C)/c(=C\C)n1C
InChIInChI=1S/C12H18N2/c1-6-9(4)12-13-10(7-2)11(8-3)14(12)5/h6-8H,1-5H3/b9-6+,10-7+,11-8+
InChIKeyBOGRHALVKQYTLJ-CVHBYRGMSA-N
XLogP1.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane
CID 169173294
8-Methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 45087576
2,8-Dimethyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 58091389
(1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine
CID 135143094
(5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane
CID 142961637
ethane;1-methyl-2-[(2E,4Z)-octa-2,4-dien-6-yn-2-yl]-4,5-dihydroimidazole
CID 143004803
ethane;ethene;(5E)-2-[(3E)-hexa-1,3,5-trien-3-yl]-3-methyl-5-prop-2-enylidene-4H-imidazole
CID 144156307
2,8-Dimethyl-2,3-dihydroimidazo[1,2-a]pyridine;ethane
CID 144352008
2,8-Dimethyl-2,3-dihydroimidazo[1,2-a]pyridine;ethane
CID 144871937
(5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine
CID 155054265
(2E,3E)-7,8-bis(ethenyl)-2-ethylidene-3-prop-2-enylideneimidazo[1,2-a]pyridine;ethane
CID 156745265
(4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole
CID 166995280

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole?
The IUPAC name of (4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole (CID 142371540) is (4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole.
What is the SMILES notation for (4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole?
The canonical SMILES for (4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole is C/C=C(\C)c1nc(=C/C)/c(=C\C)n1C.
What is the InChIKey of (4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole?
The InChIKey is BOGRHALVKQYTLJ-CVHBYRGMSA-N. The full InChI is InChI=1S/C12H18N2/c1-6-9(4)12-13-10(7-2)11(8-3)14(12)5/h6-8H,1-5H3/b9-6+,10-7+,11-8+.
What are the key properties of (4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole?
(4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole has a molecular weight of 190.29 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole is sourced from PubChem (CID 142371540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).