tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)

C60H92N20O2S2 — CID 159729485

IUPACtetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)
SMILESCC1=CC(C)=NC1.CC1=CC(C)=NC1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.Cc1n[nH]c(C)n1
InChIInChI=1S/2C6H9N.4C5H8N2.2C5H7NO.2C5H7NS.2C4H7N3/c2*1-5-3-6(2)7-4-5;8*1-4-3-6-5(2)7-4;2*1-3-5-4(2)7-6-3/h2*3H,4H2,1-2H3;4*3H,1-2H3,(H,6,7);4*3H,1-2H3;2*1-2H3,(H,5,6,7)
InChIKeyNBBCQBDJLOHQLR-UHFFFAOYSA-N
MW1189.67 g/mol
LogP13.87
Rot. Bonds

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

tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole) (PubChem CID 159729485) has the molecular formula C60H92N20O2S2 and a molecular weight of 1189.67 g/mol. Its IUPAC name is tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole).

Molecular Properties

Compound Nametetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)
PubChem CID159729485
Molecular FormulaC60H92N20O2S2
Molecular Weight1189.67 g/mol
Exact Mass1188.72
IUPAC Nametetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)
SMILESCC1=CC(C)=NC1.CC1=CC(C)=NC1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.Cc1n[nH]c(C)n1
InChIInChI=1S/2C6H9N.4C5H8N2.2C5H7NO.2C5H7NS.2C4H7N3/c2*1-5-3-6(2)7-4-5;8*1-4-3-6-5(2)7-4;2*1-3-5-4(2)7-6-3/h2*3H,4H2,1-2H3;4*3H,1-2H3,(H,6,7);4*3H,1-2H3;2*1-2H3,(H,5,6,7)
InChIKeyNBBCQBDJLOHQLR-UHFFFAOYSA-N
XLogP13.87
TPSA300.42 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001189.67
LogP ≤ 513.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)?
The IUPAC name of tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole) (CID 159729485) is tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole).
What is the SMILES notation for tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)?
The canonical SMILES for tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole) is CC1=CC(C)=NC1.CC1=CC(C)=NC1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.Cc1n[nH]c(C)n1.
What is the InChIKey of tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)?
The InChIKey is NBBCQBDJLOHQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N.4C5H8N2.2C5H7NO.2C5H7NS.2C4H7N3/c2*1-5-3-6(2)7-4-5;8*1-4-3-6-5(2)7-4;2*1-3-5-4(2)7-6-3/h2*3H,4H2,1-2H3;4*3H,1-2H3,(H,6,7);4*3H,1-2H3;2*1-2H3,(H,5,6,7).
What are the key properties of tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)?
tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole) has a molecular weight of 1189.67 g/mol, XLogP of 13.87, 0 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole) is sourced from PubChem (CID 159729485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).