2-methoxy-1H-imidazole

C4H6N2O — CID 19348571

IUPAC2-methoxy-1H-imidazole
SMILESCOc1ncc[nH]1
InChIInChI=1S/C4H6N2O/c1-7-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)
InChIKeyYQSPOXMPYQYCSI-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.42
Rot. Bonds1

About 2-methoxy-1H-imidazole

2-methoxy-1H-imidazole (PubChem CID 19348571) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 2-methoxy-1H-imidazole.

Molecular Properties

Compound Name2-methoxy-1H-imidazole
PubChem CID19348571
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name2-methoxy-1H-imidazole
SMILESCOc1ncc[nH]1
InChIInChI=1S/C4H6N2O/c1-7-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)
InChIKeyYQSPOXMPYQYCSI-UHFFFAOYSA-N
XLogP0.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-imidazol-2-yloxymethanethiol
CID 151803159
1H-imidazol-2-yloxymethanamine
CID 145126650
sodium;hydride;1H-imidazol-2-yl acetate
CID 173104751
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
2-(10,10-dimethylundecoxy)-1H-imidazole
CID 150382579
sodium;hydride;1H-imidazol-2-yl sulfite
CID 174926743
2-(2-methoxypropan-2-yl)-1H-imidazole
CID 55287404
2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785129
1H-imidazol-2-yl 2,2,2-trifluoroacetate
CID 57289417
1H-imidazol-2-yl pentanoate
CID 57278917
sodium;2-methyl-1H-imidazole;chloride
CID 174938695
1,1,2,2-tetrakis(1H-imidazol-2-yl)hydrazine
CID 163931759

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1H-imidazole?
The IUPAC name of 2-methoxy-1H-imidazole (CID 19348571) is 2-methoxy-1H-imidazole.
What is the SMILES notation for 2-methoxy-1H-imidazole?
The canonical SMILES for 2-methoxy-1H-imidazole is COc1ncc[nH]1.
What is the InChIKey of 2-methoxy-1H-imidazole?
The InChIKey is YQSPOXMPYQYCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c1-7-4-5-2-3-6-4/h2-3H,1H3,(H,5,6).
What are the key properties of 2-methoxy-1H-imidazole?
2-methoxy-1H-imidazole has a molecular weight of 98.10 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1H-imidazole is sourced from PubChem (CID 19348571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).