1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane

C12H20N2 — CID 171550610

IUPAC1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane
SMILESC=C/C=C(/C)c1nc(C)cn1C.CC
InChIInChI=1S/C10H14N2.C2H6/c1-5-6-8(2)10-11-9(3)7-12(10)4;1-2/h5-7H,1H2,2-4H3;1-2H3/b8-6-;
InChIKeyAUGYUZGDFLOPIJ-PHZXCRFESA-N
MW192.31 g/mol
LogP3.34
Rot. Bonds2

About 1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane

1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane (PubChem CID 171550610) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane.

Molecular Properties

Compound Name1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane
PubChem CID171550610
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane
SMILESC=C/C=C(/C)c1nc(C)cn1C.CC
InChIInChI=1S/C10H14N2.C2H6/c1-5-6-8(2)10-11-9(3)7-12(10)4;1-2/h5-7H,1H2,2-4H3;1-2H3/b8-6-;
InChIKeyAUGYUZGDFLOPIJ-PHZXCRFESA-N
XLogP3.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane?
The IUPAC name of 1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane (CID 171550610) is 1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane.
What is the SMILES notation for 1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane?
The canonical SMILES for 1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane is C=C/C=C(/C)c1nc(C)cn1C.CC.
What is the InChIKey of 1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane?
The InChIKey is AUGYUZGDFLOPIJ-PHZXCRFESA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-5-6-8(2)10-11-9(3)7-12(10)4;1-2/h5-7H,1H2,2-4H3;1-2H3/b8-6-;.
What are the key properties of 1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane?
1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane has a molecular weight of 192.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[(2Z)-penta-2,4-dien-2-yl]imidazole;ethane is sourced from PubChem (CID 171550610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).