2,5-dimethyl-1H-imidazole;1-methylimidazole

C9H14N4 — CID 159800988

IUPAC2,5-dimethyl-1H-imidazole;1-methylimidazole
SMILESCc1cnc(C)[nH]1.Cn1ccnc1
InChIInChI=1S/C5H8N2.C4H6N2/c1-4-3-6-5(2)7-4;1-6-3-2-5-4-6/h3H,1-2H3,(H,6,7);2-4H,1H3
InChIKeyNJTZOYLBMXKUHT-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.45
Rot. Bonds

About 2,5-dimethyl-1H-imidazole;1-methylimidazole

2,5-dimethyl-1H-imidazole;1-methylimidazole (PubChem CID 159800988) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2,5-dimethyl-1H-imidazole;1-methylimidazole.

Molecular Properties

Compound Name2,5-dimethyl-1H-imidazole;1-methylimidazole
PubChem CID159800988
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2,5-dimethyl-1H-imidazole;1-methylimidazole
SMILESCc1cnc(C)[nH]1.Cn1ccnc1
InChIInChI=1S/C5H8N2.C4H6N2/c1-4-3-6-5(2)7-4;1-6-3-2-5-4-6/h3H,1-2H3,(H,6,7);2-4H,1H3
InChIKeyNJTZOYLBMXKUHT-UHFFFAOYSA-N
XLogP1.45
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1H-imidazole;hydroiodide
CID 174505466
1-methylimidazole;5-methyl-1H-imidazole
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CID 173289689
aluminum;bis(1-methylimidazole);trichloride
CID 22075407
hydron;1-methylimidazole
CID 67251829
azane;1-methylimidazole;platinum(2+);dichloride
CID 10270176
CID 173148040
CID 173148040
ethene;1-methylimidazole
CID 70468306
barium(2+);ethane;1-methylimidazole;difluoride
CID 144994303
2,5-dimethyl-1H-imidazole;ethanol
CID 175070090
1-methylimidazole;3-methylpyridine
CID 143623927
dichloromercury;bis(1-methylimidazole)
CID 67805046

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-imidazole;1-methylimidazole?
The IUPAC name of 2,5-dimethyl-1H-imidazole;1-methylimidazole (CID 159800988) is 2,5-dimethyl-1H-imidazole;1-methylimidazole.
What is the SMILES notation for 2,5-dimethyl-1H-imidazole;1-methylimidazole?
The canonical SMILES for 2,5-dimethyl-1H-imidazole;1-methylimidazole is Cc1cnc(C)[nH]1.Cn1ccnc1.
What is the InChIKey of 2,5-dimethyl-1H-imidazole;1-methylimidazole?
The InChIKey is NJTZOYLBMXKUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C4H6N2/c1-4-3-6-5(2)7-4;1-6-3-2-5-4-6/h3H,1-2H3,(H,6,7);2-4H,1H3.
What are the key properties of 2,5-dimethyl-1H-imidazole;1-methylimidazole?
2,5-dimethyl-1H-imidazole;1-methylimidazole has a molecular weight of 178.24 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-imidazole;1-methylimidazole is sourced from PubChem (CID 159800988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).