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);methane

C71H136N20O2S2 — CID 161108972

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);methane
SMILESC.C.C.C.C.C.C.C.C.C.C.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
InChIInChI=1S/2C6H9N.4C5H8N2.2C5H7NO.2C5H7NS.2C4H7N3.11CH4/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);11*1H4
InChIKeyUJLDRQXACRLMAB-UHFFFAOYSA-N
MW1366.14 g/mol
LogP20.86
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);methane

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);methane (PubChem CID 161108972) has the molecular formula C71H136N20O2S2 and a molecular weight of 1366.14 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);methane.

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);methane
PubChem CID161108972
Molecular FormulaC71H136N20O2S2
Molecular Weight1366.14 g/mol
Exact Mass1365.06
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);methane
SMILESC.C.C.C.C.C.C.C.C.C.C.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
InChIInChI=1S/2C6H9N.4C5H8N2.2C5H7NO.2C5H7NS.2C4H7N3.11CH4/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);11*1H4
InChIKeyUJLDRQXACRLMAB-UHFFFAOYSA-N
XLogP20.86
TPSA300.42 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001366.14
LogP ≤ 520.86
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);methane with MolForge

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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);methane?
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);methane (CID 161108972) 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);methane.
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);methane?
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);methane is C.C.C.C.C.C.C.C.C.C.C.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);methane?
The InChIKey is UJLDRQXACRLMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N.4C5H8N2.2C5H7NO.2C5H7NS.2C4H7N3.11CH4/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);11*1H4.
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);methane?
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);methane has a molecular weight of 1366.14 g/mol, XLogP of 20.86, 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);methane is sourced from PubChem (CID 161108972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).