ethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole

C14H26N2 — CID 177232440

IUPACethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole
SMILESC=Cc1nc(C)cn1C=C(C)C.CC.CC
InChIInChI=1S/C10H14N2.2C2H6/c1-5-10-11-9(4)7-12(10)6-8(2)3;2*1-2/h5-7H,1H2,2-4H3;2*1-2H3
InChIKeyUOCJKPOTIHBIDP-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.77
Rot. Bonds2

About ethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole

ethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole (PubChem CID 177232440) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is ethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole.

Molecular Properties

Compound Nameethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole
PubChem CID177232440
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Nameethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole
SMILESC=Cc1nc(C)cn1C=C(C)C.CC.CC
InChIInChI=1S/C10H14N2.2C2H6/c1-5-10-11-9(4)7-12(10)6-8(2)3;2*1-2/h5-7H,1H2,2-4H3;2*1-2H3
InChIKeyUOCJKPOTIHBIDP-UHFFFAOYSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole?
The IUPAC name of ethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole (CID 177232440) is ethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole.
What is the SMILES notation for ethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole?
The canonical SMILES for ethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole is C=Cc1nc(C)cn1C=C(C)C.CC.CC.
What is the InChIKey of ethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole?
The InChIKey is UOCJKPOTIHBIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.2C2H6/c1-5-10-11-9(4)7-12(10)6-8(2)3;2*1-2/h5-7H,1H2,2-4H3;2*1-2H3.
What are the key properties of ethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole?
ethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole has a molecular weight of 222.38 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole is sourced from PubChem (CID 177232440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).