2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane — IUPAC name, SMILES, InChIKey & properties

Name: 2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane

2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane (PubChem CID 161361017) has the molecular formula C75H145N21O6S2 and a molecular weight of 1501.26 g/mol. Its IUPAC name is 2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane.

Molecular Properties

Compound Name	2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane
PubChem CID	161361017
Molecular Formula	C75H145N21O6S2
Molecular Weight	1501.26 g/mol
Exact Mass	1500.11
IUPAC Name	2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane
SMILES	C.C.C.C.C.C.C.C.C.C.C.C.C.CC1=CC(C)=NC1.CC1=CCC(C)=N1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1n[nH]c(C)n1.Cc1ncn(C)n1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1
InChI	InChI=1S/2C6H9N.C5H8N2.4C5H7NO.C5H7NS.2C4H7N3.2C4H6N2O.C4H6N2S.13CH4/c1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-4-3-6-5(2)7-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;21-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-5-3-7(2)6-4;31-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;;;;;;;;;;;;;/h23H,4H2,1-2H3;3H,1-2H3,(H,6,7);63H,1-2H3;1-2H3,(H,5,6,7);31-2H3;131H4
InChIKey	VPECLJLWFOMOMQ-UHFFFAOYSA-N
XLogP	22.46
TPSA	346.31 Å²
H-Bond Donors	2
H-Bond Acceptors	27
Rotatable Bonds
Heavy Atoms	104
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1501.26
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Analyze 2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane?

The IUPAC name of 2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane (CID 161361017) is 2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane.

What is the SMILES notation for 2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane?

The canonical SMILES for 2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.CC1=CC(C)=NC1.CC1=CCC(C)=N1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1n[nH]c(C)n1.Cc1ncn(C)n1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.

What is the InChIKey of 2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane?

The InChIKey is VPECLJLWFOMOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N.C5H8N2.4C5H7NO.C5H7NS.2C4H7N3.2C4H6N2O.C4H6N2S.13CH4/c1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-4-3-6-5(2)7-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-5-3-7(2)6-4;3*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;;;;;;;;;;;;;/h2*3H,4H2,1-2H3;3H,1-2H3,(H,6,7);6*3H,1-2H3;1-2H3,(H,5,6,7);3*1-2H3;13*1H4.

What are the key properties of 2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane?

Where does this data come from?

All data for 2,5-dimethyl-1H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-3H-pyrrole;3,5-dimethyl-2H-pyrrole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;methane is sourced from PubChem (CID 161361017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).