bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)

C146H266N46O3S3 — CID 159810922

IUPACbis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)
SMILESCC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nnn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1
InChIInChI=1S/4C9H16N2.6C8H15N3.3C8H14N2O.3C8H14N2S.2C7H14N4/c2*1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-9-5-11(10-8)7(3)4;2*1-6(2)8-5-11(7(3)4)10-9-8;2*1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;2*1-5(2)7-8-10-11(9-7)6(3)4/h4*5-8H,1-4H3;6*5-7H,1-4H3;8*5-6H,1-4H3
InChIKeyNKZXKWIFKVKVIZ-UHFFFAOYSA-N
MW2810.25 g/mol
LogP40.30
Rot. Bonds36

About bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)

bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole) (PubChem CID 159810922) has the molecular formula C146H266N46O3S3 and a molecular weight of 2810.25 g/mol. Its IUPAC name is bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole).

Molecular Properties

Compound Namebis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)
PubChem CID159810922
Molecular FormulaC146H266N46O3S3
Molecular Weight2810.25 g/mol
Exact Mass2808.12
IUPAC Namebis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)
SMILESCC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nnn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1
InChIInChI=1S/4C9H16N2.6C8H15N3.3C8H14N2O.3C8H14N2S.2C7H14N4/c2*1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-9-5-11(10-8)7(3)4;2*1-6(2)8-5-11(7(3)4)10-9-8;2*1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;2*1-5(2)7-8-10-11(9-7)6(3)4/h4*5-8H,1-4H3;6*5-7H,1-4H3;8*5-6H,1-4H3
InChIKeyNKZXKWIFKVKVIZ-UHFFFAOYSA-N
XLogP40.30
TPSA536.84 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds36
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002810.25
LogP ≤ 540.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

Analyze bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)?
The IUPAC name of bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole) (CID 159810922) is bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole).
What is the SMILES notation for bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)?
The canonical SMILES for bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole) is CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nnn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.
What is the InChIKey of bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)?
The InChIKey is NKZXKWIFKVKVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H16N2.6C8H15N3.3C8H14N2O.3C8H14N2S.2C7H14N4/c2*1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-9-5-11(10-8)7(3)4;2*1-6(2)8-5-11(7(3)4)10-9-8;2*1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;2*1-5(2)7-8-10-11(9-7)6(3)4/h4*5-8H,1-4H3;6*5-7H,1-4H3;8*5-6H,1-4H3.
What are the key properties of bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)?
bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole) has a molecular weight of 2810.25 g/mol, XLogP of 40.30, 36 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole) is sourced from PubChem (CID 159810922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).