2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole

C10H16N2 — CID 19790568

IUPAC2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=CC(CC2=NCCN2)CCC1
InChIInChI=1S/C10H16N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h2,4,9H,1,3,5-8H2,(H,11,12)
InChIKeyBWJFAPFDROUJSI-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.73
Rot. Bonds2

About 2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole

2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 19790568) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID19790568
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=CC(CC2=NCCN2)CCC1
InChIInChI=1S/C10H16N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h2,4,9H,1,3,5-8H2,(H,11,12)
InChIKeyBWJFAPFDROUJSI-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexenylmethylimidazoline
CID 24839055
4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide
CID 167149025
2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole
CID 11480793
2-hepta-1,6-dien-4-yl-4,5-dihydro-1H-imidazole
CID 21608200
2-octadec-9-en-2-yl-4,5-dihydro-1H-imidazole
CID 54308206
4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine
CID 54478037
2-(2-Octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine
CID 54547397
2-octadec-9-en-5-yl-4,5-dihydro-1H-imidazole
CID 56999189
1-methyl-2-[(E)-undec-8-enyl]-4,5-dihydro-1H-imidazol-1-ium
CID 59944074
2-[2-[7-[6-[1-(2-Aminoethyl)-4,5-dihydroimidazol-2-yl]-4-hexylcyclohex-2-en-1-yl]heptyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 60108467
2-[2-[7-[5-[1-(2-Aminoethyl)-4,5-dihydroimidazol-2-yl]-4-hexylcyclohex-2-en-1-yl]heptyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 60108469
1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine
CID 67644457

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole (CID 19790568) is 2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole is C1=CC(CC2=NCCN2)CCC1.
What is the InChIKey of 2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is BWJFAPFDROUJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h2,4,9H,1,3,5-8H2,(H,11,12).
What are the key properties of 2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole?
2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 164.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 19790568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).