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

C12H16N2O — CID 91104047

IUPAC1-(6-methoxy-4-methylcyclohexa-2,4-dien-1-yl)-4-methylimidazole
SMILESCOC1C=C(C)C=CC1n1cnc(C)c1
InChIInChI=1S/C12H16N2O/c1-9-4-5-11(12(6-9)15-3)14-7-10(2)13-8-14/h4-8,11-12H,1-3H3
InChIKeyDMXCTDHCSSUDSN-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.26
Rot. Bonds2

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

1-(6-methoxy-4-methylcyclohexa-2,4-dien-1-yl)-4-methylimidazole (PubChem CID 91104047) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(6-methoxy-4-methylcyclohexa-2,4-dien-1-yl)-4-methylimidazole.

Molecular Properties

Compound Name1-(6-methoxy-4-methylcyclohexa-2,4-dien-1-yl)-4-methylimidazole
PubChem CID91104047
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(6-methoxy-4-methylcyclohexa-2,4-dien-1-yl)-4-methylimidazole
SMILESCOC1C=C(C)C=CC1n1cnc(C)c1
InChIInChI=1S/C12H16N2O/c1-9-4-5-11(12(6-9)15-3)14-7-10(2)13-8-14/h4-8,11-12H,1-3H3
InChIKeyDMXCTDHCSSUDSN-UHFFFAOYSA-N
XLogP2.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methyl-1-[(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-3,5-dien-2-yl]imidazole
CID 143818471
4-methyl-1-[(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-3,5-dien-2-yl]imidazole
CID 143818472
3-Methoxy-4-(4-methylimidazol-1-yl)cyclohexa-1,5-diene-1-carbohydrazide
CID 70229038
[6-Methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol
CID 70234159
1-(6-Methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylimidazole
CID 70819923
6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine
CID 71256357
1-[3-methoxy-4-(4-methylimidazol-1-yl)cyclohexa-1,5-dien-1-yl]ethenyl (1Z)-2-oxobut-3-enehydrazonate
CID 88050986
3-Methoxy-4-(4-methylimidazol-1-yl)cyclohexa-1,5-diene-1-carbaldehyde
CID 88242118
1-(3-Methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole
CID 90746551
1-(6-Methoxy-4-methylcyclohepta-2,4-dien-1-yl)-4-methylimidazole
CID 90921022
(5E)-4-methoxy-3-methyl-5-(4-methylimidazol-1-yl)-2,7-dihydroazocin-8-amine
CID 91120605
1-(8-Methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole
CID 91322797

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-4-methylcyclohexa-2,4-dien-1-yl)-4-methylimidazole?
The IUPAC name of 1-(6-methoxy-4-methylcyclohexa-2,4-dien-1-yl)-4-methylimidazole (CID 91104047) is 1-(6-methoxy-4-methylcyclohexa-2,4-dien-1-yl)-4-methylimidazole.
What is the SMILES notation for 1-(6-methoxy-4-methylcyclohexa-2,4-dien-1-yl)-4-methylimidazole?
The canonical SMILES for 1-(6-methoxy-4-methylcyclohexa-2,4-dien-1-yl)-4-methylimidazole is COC1C=C(C)C=CC1n1cnc(C)c1.
What is the InChIKey of 1-(6-methoxy-4-methylcyclohexa-2,4-dien-1-yl)-4-methylimidazole?
The InChIKey is DMXCTDHCSSUDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-4-5-11(12(6-9)15-3)14-7-10(2)13-8-14/h4-8,11-12H,1-3H3.
What are the key properties of 1-(6-methoxy-4-methylcyclohexa-2,4-dien-1-yl)-4-methylimidazole?
1-(6-methoxy-4-methylcyclohexa-2,4-dien-1-yl)-4-methylimidazole has a molecular weight of 204.27 g/mol, XLogP of 2.26, 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-methylcyclohexa-2,4-dien-1-yl)-4-methylimidazole is sourced from PubChem (CID 91104047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).