bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole — IUPAC name, SMILES, InChIKey & properties

Name: bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole

bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole (PubChem CID 162266262) has the molecular formula C115H170N20O5S5 and a molecular weight of 2073.09 g/mol. Its IUPAC name is bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole.

Molecular Properties

Compound Name	bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole
PubChem CID	162266262
Molecular Formula	C115H170N20O5S5
Molecular Weight	2073.09 g/mol
Exact Mass	2071.23
IUPAC Name	bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole
SMILES	Cc1cccn1C.Cc1ccn(C)c1C.Cc1ccnn1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cn(C)cc1C.Cc1cn(C)nc1C.Cc1cncn1C.Cc1cnn(C)c1C.Cc1cocc1C.Cc1cocc1C.Cc1cscc1C.Cc1cscc1C.Cc1nccn1C.Cc1ncn(C)c1C.Cc1ncnn1C.Cc1ncoc1C.Cc1ncsc1C
InChI	InChI=1S/2C7H11N.3C6H10N2.C6H9N.4C6H8O.4C6H8S.3C5H8N2.C5H7NO.C5H7NS.C4H7N3/c1-6-4-8(3)5-7(6)2;1-6-4-5-8(3)7(6)2;1-5-6(2)8(3)4-7-5;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-6-4-3-5-7(6)2;21-5-3-7-4-6(5)2;21-5-3-4-7-6(5)2;21-5-3-7-4-6(5)2;21-5-3-4-7-6(5)2;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-5-3-4-6-7(5)2;21-4-5(2)7-3-6-4;1-4-5-3-6-7(4)2/h24-5H,1-3H3;34H,1-3H3;3-5H,1-2H3;113-4H,1-2H3;3*3H,1-2H3
InChIKey	ZZYGHLDHZULRAF-UHFFFAOYSA-N
XLogP	30.13
TPSA	243.90 Å²
H-Bond Donors
H-Bond Acceptors	30
Rotatable Bonds
Heavy Atoms	145
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2073.09
LogP ≤ 5	30.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Analyze bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole?

The IUPAC name of bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole (CID 162266262) is bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole.

What is the SMILES notation for bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole?

The canonical SMILES for bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole is Cc1cccn1C.Cc1ccn(C)c1C.Cc1ccnn1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cn(C)cc1C.Cc1cn(C)nc1C.Cc1cncn1C.Cc1cnn(C)c1C.Cc1cocc1C.Cc1cocc1C.Cc1cscc1C.Cc1cscc1C.Cc1nccn1C.Cc1ncn(C)c1C.Cc1ncnn1C.Cc1ncoc1C.Cc1ncsc1C.

What is the InChIKey of bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole?

The InChIKey is ZZYGHLDHZULRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H11N.3C6H10N2.C6H9N.4C6H8O.4C6H8S.3C5H8N2.C5H7NO.C5H7NS.C4H7N3/c1-6-4-8(3)5-7(6)2;1-6-4-5-8(3)7(6)2;1-5-6(2)8(3)4-7-5;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-6-4-3-5-7(6)2;2*1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;2*1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-5-3-4-6-7(5)2;2*1-4-5(2)7-3-6-4;1-4-5-3-6-7(4)2/h2*4-5H,1-3H3;3*4H,1-3H3;3-5H,1-2H3;11*3-4H,1-2H3;3*3H,1-2H3.

What are the key properties of bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole?

Where does this data come from?

All data for bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole is sourced from PubChem (CID 162266262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).