1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole

C13H18N2O — CID 90921022

IUPAC1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole
SMILESCOC1C=C(C)C=CC(n2cnc(C)c2)C1
InChIInChI=1S/C13H18N2O/c1-10-4-5-12(7-13(6-10)16-3)15-8-11(2)14-9-15/h4-6,8-9,12-13H,7H2,1-3H3
InChIKeyHVAABJXGYJABGS-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.65
Rot. Bonds2

About 1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole

1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole (PubChem CID 90921022) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole.

Molecular Properties

Compound Name1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole
PubChem CID90921022
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole
SMILESCOC1C=C(C)C=CC(n2cnc(C)c2)C1
InChIInChI=1S/C13H18N2O/c1-10-4-5-12(7-13(6-10)16-3)15-8-11(2)14-9-15/h4-6,8-9,12-13H,7H2,1-3H3
InChIKeyHVAABJXGYJABGS-UHFFFAOYSA-N
XLogP2.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole?
The IUPAC name of 1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole (CID 90921022) is 1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole.
What is the SMILES notation for 1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole?
The canonical SMILES for 1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole is COC1C=C(C)C=CC(n2cnc(C)c2)C1.
What is the InChIKey of 1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole?
The InChIKey is HVAABJXGYJABGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-5-12(7-13(6-10)16-3)15-8-11(2)14-9-15/h4-6,8-9,12-13H,7H2,1-3H3.
What are the key properties of 1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole?
1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole has a molecular weight of 218.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole is sourced from PubChem (CID 90921022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).