1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole

C11H16N2 — CID 150497940

IUPAC1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole
SMILESCC1=CC[C@@H](Cn2ccnc2)CC1
InChIInChI=1S/C11H16N2/c1-10-2-4-11(5-3-10)8-13-7-6-12-9-13/h2,6-7,9,11H,3-5,8H2,1H3/t11-/m1/s1
InChIKeyHXESYLDTDLEARR-LLVKDONJSA-N
MW176.26 g/mol
LogP2.63
Rot. Bonds2

About 1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole

1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole (PubChem CID 150497940) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole
PubChem CID150497940
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole
SMILESCC1=CC[C@@H](Cn2ccnc2)CC1
InChIInChI=1S/C11H16N2/c1-10-2-4-11(5-3-10)8-13-7-6-12-9-13/h2,6-7,9,11H,3-5,8H2,1H3/t11-/m1/s1
InChIKeyHXESYLDTDLEARR-LLVKDONJSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.63
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

1-Subsituted 1H-imidazole, 13
CID 23466933
1-Subsituted 1H-imidazole, 14
CID 25116047
1-Subsituted 1H-imidazole, 12
CID 57339815
1-Cyclohexylmethylimidazole
CID 20148465
1-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]imidazol-1-ium bromide
CID 44429842
1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole
CID 44570773
1-[(Z)-octadec-9-enyl]imidazole
CID 44265692
2-Subsituted 1H-imidazole, 26
CID 57339817
Cyclohex-3-enylmethyl-(3-imidazol-1-yl-propyl)-amine
CID 3152363
1-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazol-3-ium
CID 49767911
2-[(Z)-(2-ethylcyclopentylidene)methyl]-1-methylimidazole
CID 10987073
N-geranylimidazol
CID 13309275

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole?
The IUPAC name of 1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole (CID 150497940) is 1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole.
What is the SMILES notation for 1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole?
The canonical SMILES for 1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole is CC1=CC[C@@H](Cn2ccnc2)CC1.
What is the InChIKey of 1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole?
The InChIKey is HXESYLDTDLEARR-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16N2/c1-10-2-4-11(5-3-10)8-13-7-6-12-9-13/h2,6-7,9,11H,3-5,8H2,1H3/t11-/m1/s1.
What are the key properties of 1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole?
1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole has a molecular weight of 176.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]imidazole is sourced from PubChem (CID 150497940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).