ethane;2-ethenyl-4-methyl-1-[(Z)-2-methylbut-1-enyl]imidazole

C15H28N2 — CID 177232238

IUPACethane;2-ethenyl-4-methyl-1-[(Z)-2-methylbut-1-enyl]imidazole
SMILESC=Cc1nc(C)cn1/C=C(/C)CC.CC.CC
InChIInChI=1S/C11H16N2.2C2H6/c1-5-9(3)7-13-8-10(4)12-11(13)6-2;2*1-2/h6-8H,2,5H2,1,3-4H3;2*1-2H3/b9-7-;;
InChIKeyIRKOAJNDLYVHNU-COUYFGMESA-N
MW236.40 g/mol
LogP5.16
Rot. Bonds3

About ethane;2-ethenyl-4-methyl-1-[(Z)-2-methylbut-1-enyl]imidazole

ethane;2-ethenyl-4-methyl-1-[(Z)-2-methylbut-1-enyl]imidazole (PubChem CID 177232238) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is ethane;2-ethenyl-4-methyl-1-[(Z)-2-methylbut-1-enyl]imidazole.

Molecular Properties

Compound Nameethane;2-ethenyl-4-methyl-1-[(Z)-2-methylbut-1-enyl]imidazole
PubChem CID177232238
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Nameethane;2-ethenyl-4-methyl-1-[(Z)-2-methylbut-1-enyl]imidazole
SMILESC=Cc1nc(C)cn1/C=C(/C)CC.CC.CC
InChIInChI=1S/C11H16N2.2C2H6/c1-5-9(3)7-13-8-10(4)12-11(13)6-2;2*1-2/h6-8H,2,5H2,1,3-4H3;2*1-2H3/b9-7-;;
InChIKeyIRKOAJNDLYVHNU-COUYFGMESA-N
XLogP5.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.16
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-[(Z)-2-methylbut-1-enyl]imidazole?
The IUPAC name of ethane;2-ethenyl-4-methyl-1-[(Z)-2-methylbut-1-enyl]imidazole (CID 177232238) is ethane;2-ethenyl-4-methyl-1-[(Z)-2-methylbut-1-enyl]imidazole.
What is the SMILES notation for ethane;2-ethenyl-4-methyl-1-[(Z)-2-methylbut-1-enyl]imidazole?
The canonical SMILES for ethane;2-ethenyl-4-methyl-1-[(Z)-2-methylbut-1-enyl]imidazole is C=Cc1nc(C)cn1/C=C(/C)CC.CC.CC.
What is the InChIKey of ethane;2-ethenyl-4-methyl-1-[(Z)-2-methylbut-1-enyl]imidazole?
The InChIKey is IRKOAJNDLYVHNU-COUYFGMESA-N. The full InChI is InChI=1S/C11H16N2.2C2H6/c1-5-9(3)7-13-8-10(4)12-11(13)6-2;2*1-2/h6-8H,2,5H2,1,3-4H3;2*1-2H3/b9-7-;;.
What are the key properties of ethane;2-ethenyl-4-methyl-1-[(Z)-2-methylbut-1-enyl]imidazole?
ethane;2-ethenyl-4-methyl-1-[(Z)-2-methylbut-1-enyl]imidazole has a molecular weight of 236.40 g/mol, XLogP of 5.16, 3 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-[(Z)-2-methylbut-1-enyl]imidazole is sourced from PubChem (CID 177232238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).