1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene — IUPAC name, SMILES, InChIKey & properties

Name: 1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene

1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene (PubChem CID 157358559) has the molecular formula C110H144N16O4S2 and a molecular weight of 1818.60 g/mol. Its IUPAC name is 1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene.

Molecular Properties

Compound Name	1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene
PubChem CID	157358559
Molecular Formula	C110H144N16O4S2
Molecular Weight	1818.60 g/mol
Exact Mass	1817.10
IUPAC Name	1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene
SMILES	C.C.CC1=CCC=C1.CC1=CCC=C1.CC1=CCC=C1.CC1=CCC=N1.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccn1C.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1cnccn1.Cc1ncccn1.Cc1nccn1C.Cc1ncco1.Cc1ncco1.Cc1nccs1
InChI	InChI=1S/2C7H8.C6H9N.3C6H7N.3C6H8.C5H8N2.3C5H6N2.C5H7N.2C5H6O.C5H6S.2C4H5NO.C4H5NS.2CH4/c21-7-5-3-2-4-6-7;1-6-4-3-5-7(6)2;1-6-3-2-4-7-5-6;21-6-4-2-3-5-7-6;31-6-4-2-3-5-6;1-5-6-3-4-7(5)2;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;21-5-3-2-4-6-5;31-4-5-2-3-6-4;;/h22-6H,1H3;3-5H,1-2H3;32-5H,1H3;32,4-5H,3H2,1H3;3-4H,1-2H3;32-4H,1H3;3-4H,2H2,1H3;32-4H,1H3;32-3H,1H3;21H4
InChIKey	BIJFULWJNQHBIX-UHFFFAOYSA-N
XLogP	29.54
TPSA	242.35 Å²
H-Bond Donors
H-Bond Acceptors	22
Rotatable Bonds
Heavy Atoms	132
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1818.60
LogP ≤ 5	29.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Analyze 1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene?

The IUPAC name of 1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene (CID 157358559) is 1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene.

What is the SMILES notation for 1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene?

The canonical SMILES for 1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene is C.C.CC1=CCC=C1.CC1=CCC=C1.CC1=CCC=C1.CC1=CCC=N1.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccn1C.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1cnccn1.Cc1ncccn1.Cc1nccn1C.Cc1ncco1.Cc1ncco1.Cc1nccs1.

What is the InChIKey of 1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene?

The InChIKey is BIJFULWJNQHBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.C6H9N.3C6H7N.3C6H8.C5H8N2.3C5H6N2.C5H7N.2C5H6O.C5H6S.2C4H5NO.C4H5NS.2CH4/c2*1-7-5-3-2-4-6-7;1-6-4-3-5-7(6)2;1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;3*1-6-4-2-3-5-6;1-5-6-3-4-7(5)2;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;3*1-4-5-2-3-6-4;;/h2*2-6H,1H3;3-5H,1-2H3;3*2-5H,1H3;3*2,4-5H,3H2,1H3;3-4H,1-2H3;3*2-4H,1H3;3-4H,2H2,1H3;3*2-4H,1H3;3*2-3H,1H3;2*1H4.

What are the key properties of 1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene?

Where does this data come from?

All data for 1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene is sourced from PubChem (CID 157358559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).