5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole

C13H20N2 — CID 70794927

IUPAC5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole
SMILESCC1CC/C(=C/c2cnc[nH]2)C(C)C1C
InChIInChI=1S/C13H20N2/c1-9-4-5-12(11(3)10(9)2)6-13-7-14-8-15-13/h6-11H,4-5H2,1-3H3,(H,14,15)/b12-6-
InChIKeyLMTWFHNEYYUZGZ-SDQBBNPISA-N
MW204.32 g/mol
LogP3.50
Rot. Bonds1

About 5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole

5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole (PubChem CID 70794927) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole
PubChem CID70794927
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole
SMILESCC1CC/C(=C/c2cnc[nH]2)C(C)C1C
InChIInChI=1S/C13H20N2/c1-9-4-5-12(11(3)10(9)2)6-13-7-14-8-15-13/h6-11H,4-5H2,1-3H3,(H,14,15)/b12-6-
InChIKeyLMTWFHNEYYUZGZ-SDQBBNPISA-N
XLogP3.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole?
The IUPAC name of 5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole (CID 70794927) is 5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole?
The canonical SMILES for 5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole is CC1CC/C(=C/c2cnc[nH]2)C(C)C1C.
What is the InChIKey of 5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole?
The InChIKey is LMTWFHNEYYUZGZ-SDQBBNPISA-N. The full InChI is InChI=1S/C13H20N2/c1-9-4-5-12(11(3)10(9)2)6-13-7-14-8-15-13/h6-11H,4-5H2,1-3H3,(H,14,15)/b12-6-.
What are the key properties of 5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole?
5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole has a molecular weight of 204.32 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(2,3,4-trimethylcyclohexylidene)methyl]-1H-imidazole is sourced from PubChem (CID 70794927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).