1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole

C12H18N2 — CID 20550247

IUPAC1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole
SMILESCC1=CC(Cn2ccnc2)CCCC1
InChIInChI=1S/C12H18N2/c1-11-4-2-3-5-12(8-11)9-14-7-6-13-10-14/h6-8,10,12H,2-5,9H2,1H3
InChIKeyOZCALBMECQHEDF-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.02
Rot. Bonds2

About 1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole

1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole (PubChem CID 20550247) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole
PubChem CID20550247
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole
SMILESCC1=CC(Cn2ccnc2)CCCC1
InChIInChI=1S/C12H18N2/c1-11-4-2-3-5-12(8-11)9-14-7-6-13-10-14/h6-8,10,12H,2-5,9H2,1H3
InChIKeyOZCALBMECQHEDF-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole?
The IUPAC name of 1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole (CID 20550247) is 1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole.
What is the SMILES notation for 1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole?
The canonical SMILES for 1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole is CC1=CC(Cn2ccnc2)CCCC1.
What is the InChIKey of 1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole?
The InChIKey is OZCALBMECQHEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-11-4-2-3-5-12(8-11)9-14-7-6-13-10-14/h6-8,10,12H,2-5,9H2,1H3.
What are the key properties of 1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole?
1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole has a molecular weight of 190.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclohept-2-en-1-yl)methyl]imidazole is sourced from PubChem (CID 20550247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).