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

C9H14N2O — CID 58575068

IUPAC5-methyl-2-(oxan-4-yl)-1H-imidazole
SMILESCc1cnc(C2CCOCC2)[nH]1
InChIInChI=1S/C9H14N2O/c1-7-6-10-9(11-7)8-2-4-12-5-3-8/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyXSSRDFPFNMGUMV-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.61
Rot. Bonds1

About 5-methyl-2-(oxan-4-yl)-1H-imidazole

5-methyl-2-(oxan-4-yl)-1H-imidazole (PubChem CID 58575068) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-methyl-2-(oxan-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-(oxan-4-yl)-1H-imidazole
PubChem CID58575068
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-methyl-2-(oxan-4-yl)-1H-imidazole
SMILESCc1cnc(C2CCOCC2)[nH]1
InChIInChI=1S/C9H14N2O/c1-7-6-10-9(11-7)8-2-4-12-5-3-8/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyXSSRDFPFNMGUMV-UHFFFAOYSA-N
XLogP1.61
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-Imidazol-4-yl)propyl 3-methylbutyl ether
CID 10465285
2-(oxan-4-yl)-1H-imidazole
CID 59198587
5-(oxan-4-yl)-1H-imidazole-2-carbaldehyde
CID 86726997
4-(oxan-4-yl)-1H-imidazole
CID 129451563
[5-(oxan-4-yl)-1H-imidazol-2-yl]methanol
CID 116878347
4-Bromo-2-(oxan-4-yl)-1H-imidazole
CID 117259156
4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidine
CID 86820593
4-(5-methyl-2-tetrahydro-2H-pyran-4-yl-1H-imidazol-1-yl)piperidine
CID 90488060
3-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]piperidine
CID 90488101
2-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]ethan-1-amine
CID 91911584
N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]-3-sulfanylpropanamide
CID 177681292
[4-({methyl[(4-methyl-1H-imidazol-2-yl)methyl]amino}methyl)tetrahydro-2H-pyran-4-yl]methanol
CID 74233960

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxan-4-yl)-1H-imidazole?
The IUPAC name of 5-methyl-2-(oxan-4-yl)-1H-imidazole (CID 58575068) is 5-methyl-2-(oxan-4-yl)-1H-imidazole.
What is the SMILES notation for 5-methyl-2-(oxan-4-yl)-1H-imidazole?
The canonical SMILES for 5-methyl-2-(oxan-4-yl)-1H-imidazole is Cc1cnc(C2CCOCC2)[nH]1.
What is the InChIKey of 5-methyl-2-(oxan-4-yl)-1H-imidazole?
The InChIKey is XSSRDFPFNMGUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-6-10-9(11-7)8-2-4-12-5-3-8/h6,8H,2-5H2,1H3,(H,10,11).
What are the key properties of 5-methyl-2-(oxan-4-yl)-1H-imidazole?
5-methyl-2-(oxan-4-yl)-1H-imidazole has a molecular weight of 166.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxan-4-yl)-1H-imidazole is sourced from PubChem (CID 58575068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).