1-(cyclohex-2-en-1-ylmethyl)imidazole

C10H14N2 — CID 20574509

IUPAC1-(cyclohex-2-en-1-ylmethyl)imidazole
SMILESC1=CC(Cn2ccnc2)CCC1
InChIInChI=1S/C10H14N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h2,4,6-7,9-10H,1,3,5,8H2
InChIKeyXTQCKAMDEWFCFY-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.24
Rot. Bonds2

About 1-(cyclohex-2-en-1-ylmethyl)imidazole

1-(cyclohex-2-en-1-ylmethyl)imidazole (PubChem CID 20574509) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-(cyclohex-2-en-1-ylmethyl)imidazole.

Molecular Properties

Compound Name1-(cyclohex-2-en-1-ylmethyl)imidazole
PubChem CID20574509
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-(cyclohex-2-en-1-ylmethyl)imidazole
SMILESC1=CC(Cn2ccnc2)CCC1
InChIInChI=1S/C10H14N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h2,4,6-7,9-10H,1,3,5,8H2
InChIKeyXTQCKAMDEWFCFY-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine
CID 107906738
1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
CID 118636677
1-(cyclooctylmethyl)imidazole
CID 20550238
2-imidazol-1-ylethanol
CID 159023310
1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine
CID 91027926
1-[(5-methyloxolan-2-yl)methyl]imidazole
CID 103140191
(2S)-2-(imidazol-1-ylmethyl)cycloheptan-1-one
CID 93020339
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846457
N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 166251781
N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine
CID 165466349
1-[(3,3-difluorocyclopentyl)methyl]imidazole
CID 126782218

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-2-en-1-ylmethyl)imidazole?
The IUPAC name of 1-(cyclohex-2-en-1-ylmethyl)imidazole (CID 20574509) is 1-(cyclohex-2-en-1-ylmethyl)imidazole.
What is the SMILES notation for 1-(cyclohex-2-en-1-ylmethyl)imidazole?
The canonical SMILES for 1-(cyclohex-2-en-1-ylmethyl)imidazole is C1=CC(Cn2ccnc2)CCC1.
What is the InChIKey of 1-(cyclohex-2-en-1-ylmethyl)imidazole?
The InChIKey is XTQCKAMDEWFCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h2,4,6-7,9-10H,1,3,5,8H2.
What are the key properties of 1-(cyclohex-2-en-1-ylmethyl)imidazole?
1-(cyclohex-2-en-1-ylmethyl)imidazole has a molecular weight of 162.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-2-en-1-ylmethyl)imidazole is sourced from PubChem (CID 20574509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).