methane;1,4,5-trimethylimidazole

C7H14N2 — CID 157422671

IUPACmethane;1,4,5-trimethylimidazole
SMILESC.Cc1ncn(C)c1C
InChIInChI=1S/C6H10N2.CH4/c1-5-6(2)8(3)4-7-5;/h4H,1-3H3;1H4
InChIKeyBPPAMBBEEIOMHB-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.67
Rot. Bonds

About methane;1,4,5-trimethylimidazole

methane;1,4,5-trimethylimidazole (PubChem CID 157422671) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is methane;1,4,5-trimethylimidazole.

Molecular Properties

Compound Namemethane;1,4,5-trimethylimidazole
PubChem CID157422671
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namemethane;1,4,5-trimethylimidazole
SMILESC.Cc1ncn(C)c1C
InChIInChI=1S/C6H10N2.CH4/c1-5-6(2)8(3)4-7-5;/h4H,1-3H3;1H4
InChIKeyBPPAMBBEEIOMHB-UHFFFAOYSA-N
XLogP1.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1,5-dimethylimidazole
CID 59999519
5-ethynyl-1,4-dimethylimidazole
CID 146291121
5-iodo-3,6-dimethylpyrimidin-4-one
CID 66342888
4,5-dimethyl-1-methylsulfanylimidazole
CID 146393093
1-butyl-4,5-dimethylimidazole
CID 18671206
2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride
CID 75531085
2-(1,5-dimethylimidazol-4-yl)ethanamine
CID 573597
1-(4-chlorobutyl)-4,5-dimethylimidazole
CID 62349846
1-(2-methoxyethyl)-4,5-dimethylimidazole
CID 54406098
1-(3-bromopropyl)-4,5-dimethylimidazole
CID 62352321
3-(4,5-dimethylimidazol-1-yl)propanenitrile
CID 62350561
1-decyl-4,5-dimethylimidazole
CID 116621792

Frequently Asked Questions

What is the IUPAC name of methane;1,4,5-trimethylimidazole?
The IUPAC name of methane;1,4,5-trimethylimidazole (CID 157422671) is methane;1,4,5-trimethylimidazole.
What is the SMILES notation for methane;1,4,5-trimethylimidazole?
The canonical SMILES for methane;1,4,5-trimethylimidazole is C.Cc1ncn(C)c1C.
What is the InChIKey of methane;1,4,5-trimethylimidazole?
The InChIKey is BPPAMBBEEIOMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.CH4/c1-5-6(2)8(3)4-7-5;/h4H,1-3H3;1H4.
What are the key properties of methane;1,4,5-trimethylimidazole?
methane;1,4,5-trimethylimidazole has a molecular weight of 126.20 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,4,5-trimethylimidazole is sourced from PubChem (CID 157422671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).