1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole

C12H20N2O — CID 116798975

IUPAC1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole
SMILESCOC1CCC(Cn2cncc2C)CC1
InChIInChI=1S/C12H20N2O/c1-10-7-13-9-14(10)8-11-3-5-12(15-2)6-4-11/h7,9,11-12H,3-6,8H2,1-2H3
InChIKeyWAVXERPDKSBEKR-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.40
Rot. Bonds3

About 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole

1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole (PubChem CID 116798975) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole.

Molecular Properties

Compound Name1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole
PubChem CID116798975
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole
SMILESCOC1CCC(Cn2cncc2C)CC1
InChIInChI=1S/C12H20N2O/c1-10-7-13-9-14(10)8-11-3-5-12(15-2)6-4-11/h7,9,11-12H,3-6,8H2,1-2H3
InChIKeyWAVXERPDKSBEKR-UHFFFAOYSA-N
XLogP2.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole?
The IUPAC name of 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole (CID 116798975) is 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole.
What is the SMILES notation for 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole?
The canonical SMILES for 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole is COC1CCC(Cn2cncc2C)CC1.
What is the InChIKey of 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole?
The InChIKey is WAVXERPDKSBEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-7-13-9-14(10)8-11-3-5-12(15-2)6-4-11/h7,9,11-12H,3-6,8H2,1-2H3.
What are the key properties of 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole?
1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole has a molecular weight of 208.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazole is sourced from PubChem (CID 116798975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).