1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole

C14H20N2O — CID 163419103

IUPAC1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole
SMILESCOC1=C(n2cnc(C)c2)C=CC(C(C)C)C1
InChIInChI=1S/C14H20N2O/c1-10(2)12-5-6-13(14(7-12)17-4)16-8-11(3)15-9-16/h5-6,8-10,12H,7H2,1-4H3
InChIKeyAGXLRLAXUDDVAY-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.24
Rot. Bonds3

About 1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole

1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole (PubChem CID 163419103) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole.

Molecular Properties

Compound Name1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole
PubChem CID163419103
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole
SMILESCOC1=C(n2cnc(C)c2)C=CC(C(C)C)C1
InChIInChI=1S/C14H20N2O/c1-10(2)12-5-6-13(14(7-12)17-4)16-8-11(3)15-9-16/h5-6,8-10,12H,7H2,1-4H3
InChIKeyAGXLRLAXUDDVAY-UHFFFAOYSA-N
XLogP3.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole?
The IUPAC name of 1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole (CID 163419103) is 1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole.
What is the SMILES notation for 1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole?
The canonical SMILES for 1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole is COC1=C(n2cnc(C)c2)C=CC(C(C)C)C1.
What is the InChIKey of 1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole?
The InChIKey is AGXLRLAXUDDVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)12-5-6-13(14(7-12)17-4)16-8-11(3)15-9-16/h5-6,8-10,12H,7H2,1-4H3.
What are the key properties of 1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole?
1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole has a molecular weight of 232.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole is sourced from PubChem (CID 163419103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).