1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole

C63H129N19O — CID 160854393

IUPAC1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)on1.Cc1ccn(C)n1.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnn(C)c1.Cc1n[nH]c(C)n1.Cc1ncn(C)c1C
InChIInChI=1S/C6H10N2.5C5H8N2.C5H7NO.2C4H7N3.9C2H6.CH4/c1-5-6(2)8(3)4-7-5;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;2*1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-7(2)6-5-4;1-3-5-4(2)7-6-3;9*1-2;/h4H,1-3H3;3*3-4H,1-2H3;2*3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7);9*1-2H3;1H4
InChIKeySJRHXILFKTXHTO-UHFFFAOYSA-N
MW1168.86 g/mol
LogP16.98
Rot. Bonds

About 1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole

1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole (PubChem CID 160854393) has the molecular formula C63H129N19O and a molecular weight of 1168.86 g/mol. Its IUPAC name is 1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole.

Molecular Properties

Compound Name1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole
PubChem CID160854393
Molecular FormulaC63H129N19O
Molecular Weight1168.86 g/mol
Exact Mass1168.06
IUPAC Name1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)on1.Cc1ccn(C)n1.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnn(C)c1.Cc1n[nH]c(C)n1.Cc1ncn(C)c1C
InChIInChI=1S/C6H10N2.5C5H8N2.C5H7NO.2C4H7N3.9C2H6.CH4/c1-5-6(2)8(3)4-7-5;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;2*1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-7(2)6-5-4;1-3-5-4(2)7-6-3;9*1-2;/h4H,1-3H3;3*3-4H,1-2H3;2*3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7);9*1-2H3;1H4
InChIKeySJRHXILFKTXHTO-UHFFFAOYSA-N
XLogP16.98
TPSA226.95 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001168.86
LogP ≤ 516.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole with MolForge

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Related Compounds

4-(azetidin-1-ylmethyl)-1-tert-butylpyrazole;1-(2-tert-butyl-4-fluoro-1H-imidazol-5-yl)-N-methylmethanamine;1-(1-tert-butyl-3-fluoropyrazol-4-yl)-N-methylmethanamine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methyltriazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylmethanamine;1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine
CID 157098164
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide;methane
CID 157317586
3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole
CID 157327745
1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole
CID 157455830
3,5-Dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole)
CID 157591994
4-tert-butyl-1,5-dimethylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyl-1-methyltriazole
CID 157797012
4-tert-butyl-1,5-dimethylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyl-1-methyltriazole;methane
CID 157837935
ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
CID 158359741
4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole
CID 158579553
1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole
CID 158690696
ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
CID 158859938
ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
CID 159396750

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole?
The IUPAC name of 1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole (CID 160854393) is 1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole.
What is the SMILES notation for 1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole?
The canonical SMILES for 1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)on1.Cc1ccn(C)n1.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnn(C)c1.Cc1n[nH]c(C)n1.Cc1ncn(C)c1C.
What is the InChIKey of 1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole?
The InChIKey is SJRHXILFKTXHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.5C5H8N2.C5H7NO.2C4H7N3.9C2H6.CH4/c1-5-6(2)8(3)4-7-5;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;2*1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-7(2)6-5-4;1-3-5-4(2)7-6-3;9*1-2;/h4H,1-3H3;3*3-4H,1-2H3;2*3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7);9*1-2H3;1H4.
What are the key properties of 1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole?
1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole has a molecular weight of 1168.86 g/mol, XLogP of 16.98, 0 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole is sourced from PubChem (CID 160854393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).