2-methyl-1-(oxan-4-yl)imidazole

C9H14N2O — CID 63937536

IUPAC2-methyl-1-(oxan-4-yl)imidazole
SMILESCc1nccn1C1CCOCC1
InChIInChI=1S/C9H14N2O/c1-8-10-4-5-11(8)9-2-6-12-7-3-9/h4-5,9H,2-3,6-7H2,1H3
InChIKeyOPESHVXVDUZHNK-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.54
Rot. Bonds1

About 2-methyl-1-(oxan-4-yl)imidazole

2-methyl-1-(oxan-4-yl)imidazole (PubChem CID 63937536) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-1-(oxan-4-yl)imidazole.

Molecular Properties

Compound Name2-methyl-1-(oxan-4-yl)imidazole
PubChem CID63937536
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-methyl-1-(oxan-4-yl)imidazole
SMILESCc1nccn1C1CCOCC1
InChIInChI=1S/C9H14N2O/c1-8-10-4-5-11(8)9-2-6-12-7-3-9/h4-5,9H,2-3,6-7H2,1H3
InChIKeyOPESHVXVDUZHNK-UHFFFAOYSA-N
XLogP1.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2r)-N,N-Dimethyl-4-(1-Methylimidazol-2-Yl)oxy-Butan-2-Amine
CID 70701321
1-Ethynyl-2-(3-methoxyprop-1-ynyl)imidazole
CID 12130697
1-(Oxan-4-yl)-2-(trifluoromethyl)imidazole
CID 71665286
4-[2-(2-Methylimidazol-1-yl)ethyl]morpholine
CID 56798444
2-bromo-1-(oxan-2-yl)-1H-imidazole
CID 45588153
4-bromo-1-(oxan-4-yl)-1H-imidazole
CID 66520754
2-(1-methyl-1H-imidazol-2-yl)oxan-4-amine
CID 121553057
4-[(1-ethyl-1H-imidazol-2-yl)methyl]morpholine
CID 91623565
[3-[Ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110197184
4-(1-Methyl-1H-imidazol-2-yl)-morpholine
CID 13034373
1-Ethoxymethyl-2-methylimidazole
CID 13047403
1-(Hexoxymethyl)-3-methylimidazol-3-ium
CID 13452163

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxan-4-yl)imidazole?
The IUPAC name of 2-methyl-1-(oxan-4-yl)imidazole (CID 63937536) is 2-methyl-1-(oxan-4-yl)imidazole.
What is the SMILES notation for 2-methyl-1-(oxan-4-yl)imidazole?
The canonical SMILES for 2-methyl-1-(oxan-4-yl)imidazole is Cc1nccn1C1CCOCC1.
What is the InChIKey of 2-methyl-1-(oxan-4-yl)imidazole?
The InChIKey is OPESHVXVDUZHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8-10-4-5-11(8)9-2-6-12-7-3-9/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 2-methyl-1-(oxan-4-yl)imidazole?
2-methyl-1-(oxan-4-yl)imidazole has a molecular weight of 166.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-4-yl)imidazole is sourced from PubChem (CID 63937536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).