(4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane

C15H30N2 — CID 143526407

IUPAC(4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane
SMILESCC.CC.CC/C=c1/nc(C)n(C)/c1=C/CC
InChIInChI=1S/C11H18N2.2C2H6/c1-5-7-10-11(8-6-2)13(4)9(3)12-10;2*1-2/h7-8H,5-6H2,1-4H3;2*1-2H3/b10-7+,11-8+;;
InChIKeyRJJJWTSESVENJU-VHZUSOFISA-N
MW238.42 g/mol
LogP3.16
Rot. Bonds2

About (4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane

(4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane (PubChem CID 143526407) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is (4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane.

Molecular Properties

Compound Name(4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane
PubChem CID143526407
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name(4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane
SMILESCC.CC.CC/C=c1/nc(C)n(C)/c1=C/CC
InChIInChI=1S/C11H18N2.2C2H6/c1-5-7-10-11(8-6-2)13(4)9(3)12-10;2*1-2/h7-8H,5-6H2,1-4H3;2*1-2H3/b10-7+,11-8+;;
InChIKeyRJJJWTSESVENJU-VHZUSOFISA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole
CID 135162214
(5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole
CID 146359447
(4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole
CID 170191493
(E)-1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-N,N,3,3-tetramethylbut-1-en-2-amine chloride
CID 134873523
2-(Difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole
CID 169159772
2,3-dimethyl-5H-cyclopenta[d]imidazole
CID 54229219
1,2,3-Trimethyl-5,6-dihydrobenzimidazol-3-ium
CID 59289989
2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708911
1-[2-(1,5-Dimethyl-2,3-dihydropyrrol-1-ium-1-yl)ethyl]-1,2-dimethyl-4,5-dihydroimidazol-1-ium
CID 59960083
5-Ethylidene-2-methyl-4-methylidene-1-propan-2-ylimidazole
CID 90894415
1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole
CID 134288755
2-Ethyl-1-methyl-5,6-dihydrobenzimidazole
CID 134342627

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane?
The IUPAC name of (4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane (CID 143526407) is (4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane.
What is the SMILES notation for (4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane?
The canonical SMILES for (4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane is CC.CC.CC/C=c1/nc(C)n(C)/c1=C/CC.
What is the InChIKey of (4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane?
The InChIKey is RJJJWTSESVENJU-VHZUSOFISA-N. The full InChI is InChI=1S/C11H18N2.2C2H6/c1-5-7-10-11(8-6-2)13(4)9(3)12-10;2*1-2/h7-8H,5-6H2,1-4H3;2*1-2H3/b10-7+,11-8+;;.
What are the key properties of (4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane?
(4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane has a molecular weight of 238.42 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane is sourced from PubChem (CID 143526407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).