hydron;1-methylimidazole

C4H7N2+ — CID 67251829

IUPAChydron;1-methylimidazole
SMILESCn1ccnc1.[H+]
InChIInChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/p+1
InChIKeyMCTWTZJPVLRJOU-UHFFFAOYSA-O
MW83.11 g/mol
LogP0.53
Rot. Bonds

About hydron;1-methylimidazole

hydron;1-methylimidazole (PubChem CID 67251829) has the molecular formula C4H7N2+ and a molecular weight of 83.11 g/mol. Its IUPAC name is hydron;1-methylimidazole.

Molecular Properties

Compound Namehydron;1-methylimidazole
PubChem CID67251829
Molecular FormulaC4H7N2+
Molecular Weight83.11 g/mol
Exact Mass83.06
IUPAC Namehydron;1-methylimidazole
SMILESCn1ccnc1.[H+]
InChIInChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/p+1
InChIKeyMCTWTZJPVLRJOU-UHFFFAOYSA-O
XLogP0.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.11
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 173148040
ethene;1-methylimidazole
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hydron;1-methylimidazole;tetrafluoroborate
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dichloromercury;bis(1-methylimidazole)
CID 67805046
chloroethane;1-methylimidazole
CID 67152789
tetrakis(1-methylimidazole);platinum(2+);diperchlorate
CID 139054952
1-methylimidazole;phosphoric acid;hexahydrofluoride
CID 158112836

Frequently Asked Questions

What is the IUPAC name of hydron;1-methylimidazole?
The IUPAC name of hydron;1-methylimidazole (CID 67251829) is hydron;1-methylimidazole.
What is the SMILES notation for hydron;1-methylimidazole?
The canonical SMILES for hydron;1-methylimidazole is Cn1ccnc1.[H+].
What is the InChIKey of hydron;1-methylimidazole?
The InChIKey is MCTWTZJPVLRJOU-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/p+1.
What are the key properties of hydron;1-methylimidazole?
hydron;1-methylimidazole has a molecular weight of 83.11 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-methylimidazole is sourced from PubChem (CID 67251829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).