methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

C166H217N27O — CID 159206468

IUPACmethane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESC.C.C.C.C.C.C.C.C.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccn2nccc2c1.CC(C)c1cnc2ncccc2n1
InChIInChI=1S/4C12H13N.C11H13N.C10H11N3.6C10H12N2.C10H11NO.2C9H11N3.9CH4/c2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;3*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-4-9-10-5-6-12(9)11-8;;;;;;;;;/h4*3-9H,1-2H3;3-5,7-8H,6H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;2*3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-8H,1-2H3;3*3-7H,1-2H3;9*1H4
InChIKeyKPYIHHXYPUOPRE-UHFFFAOYSA-N
MW2606.75 g/mol
LogP41.29
Rot. Bonds15

About methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 159206468) has the molecular formula C166H217N27O and a molecular weight of 2606.75 g/mol. Its IUPAC name is methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Namemethane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID159206468
Molecular FormulaC166H217N27O
Molecular Weight2606.75 g/mol
Exact Mass2604.78
IUPAC Namemethane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESC.C.C.C.C.C.C.C.C.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccn2nccc2c1.CC(C)c1cnc2ncccc2n1
InChIInChI=1S/4C12H13N.C11H13N.C10H11N3.6C10H12N2.C10H11NO.2C9H11N3.9CH4/c2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;3*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-4-9-10-5-6-12(9)11-8;;;;;;;;;/h4*3-9H,1-2H3;3-5,7-8H,6H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;2*3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-8H,1-2H3;3*3-7H,1-2H3;9*1H4
InChIKeyKPYIHHXYPUOPRE-UHFFFAOYSA-N
XLogP41.29
TPSA319.02 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms194
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002606.75
LogP ≤ 541.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Analyze methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 159206468) is methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is C.C.C.C.C.C.C.C.C.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccn2nccc2c1.CC(C)c1cnc2ncccc2n1.
What is the InChIKey of methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KPYIHHXYPUOPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H13N.C11H13N.C10H11N3.6C10H12N2.C10H11NO.2C9H11N3.9CH4/c2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;3*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-4-9-10-5-6-12(9)11-8;;;;;;;;;/h4*3-9H,1-2H3;3-5,7-8H,6H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;2*3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-8H,1-2H3;3*3-7H,1-2H3;9*1H4.
What are the key properties of methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 2606.75 g/mol, XLogP of 41.29, 15 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 159206468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).