1-methyl-5-(oxan-4-yl)imidazole

C9H14N2O — CID 154718097

IUPAC1-methyl-5-(oxan-4-yl)imidazole
SMILESCn1cncc1C1CCOCC1
InChIInChI=1S/C9H14N2O/c1-11-7-10-6-9(11)8-2-4-12-5-3-8/h6-8H,2-5H2,1H3
InChIKeyPNWRYJBSNYBTLK-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.31
Rot. Bonds1

About 1-methyl-5-(oxan-4-yl)imidazole

1-methyl-5-(oxan-4-yl)imidazole (PubChem CID 154718097) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-methyl-5-(oxan-4-yl)imidazole.

Molecular Properties

Compound Name1-methyl-5-(oxan-4-yl)imidazole
PubChem CID154718097
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-methyl-5-(oxan-4-yl)imidazole
SMILESCn1cncc1C1CCOCC1
InChIInChI=1S/C9H14N2O/c1-11-7-10-6-9(11)8-2-4-12-5-3-8/h6-8H,2-5H2,1H3
InChIKeyPNWRYJBSNYBTLK-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fub 465
CID 9989449
3-(1H-imidazol-4-yl)propyl 3,3-dimethylbutyl ether
CID 10130526
5-(4-Ethyl-tetrahydro-furan-3-ylmethyl)-1-methyl-1H-imidazole
CID 44323857
3-(1H-Imidazol-4-yl)propyl 2-methylpropyl ether
CID 10821309
3-(1H-Imidazol-4-yl)propyl 3-methylbutyl ether
CID 10465285
3-(1-methyl-1H-imidazol-5-yl)propan-1-ol
CID 45087839
4-(oxan-4-yl)-1H-imidazole
CID 129451563
4-amino-3-(1-methyl-1H-imidazol-5-yl)butan-1-ol
CID 66118006
Azorous acid; 5-[(4-ethyltetrahydrofuran-3-yl)methyl]-1-methyl-imidazole
CID 176468468
2-Chloro-5-methyl-1-(oxan-2-yl)imidazole
CID 83678618
3-(1H-Imidazol-4-yl)propyl 4-methylpentyl ether
CID 10750963
3-(1H-Imidazol-4-yl)propyl propyl ether
CID 11480675

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(oxan-4-yl)imidazole?
The IUPAC name of 1-methyl-5-(oxan-4-yl)imidazole (CID 154718097) is 1-methyl-5-(oxan-4-yl)imidazole.
What is the SMILES notation for 1-methyl-5-(oxan-4-yl)imidazole?
The canonical SMILES for 1-methyl-5-(oxan-4-yl)imidazole is Cn1cncc1C1CCOCC1.
What is the InChIKey of 1-methyl-5-(oxan-4-yl)imidazole?
The InChIKey is PNWRYJBSNYBTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-7-10-6-9(11)8-2-4-12-5-3-8/h6-8H,2-5H2,1H3.
What are the key properties of 1-methyl-5-(oxan-4-yl)imidazole?
1-methyl-5-(oxan-4-yl)imidazole has a molecular weight of 166.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(oxan-4-yl)imidazole is sourced from PubChem (CID 154718097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).