5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine

C41H57N13 — CID 158793708

IUPAC5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine
SMILESC.Cc1ccc2nc(C(C)C)[nH]c2c1.Cc1cnc2nc(C(C)C)[nH]c2c1.Cc1nc2nc(C(C)C)[nH]c2nc1C.Cc1ncc2[nH]c(C(C)C)nc2n1
InChIInChI=1S/C11H14N2.C10H14N4.C10H13N3.C9H12N4.CH4/c1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-5(2)8-13-9-10(14-8)12-7(4)6(3)11-9;1-6(2)9-12-8-4-7(3)5-11-10(8)13-9;1-5(2)8-12-7-4-10-6(3)11-9(7)13-8;/h4-7H,1-3H3,(H,12,13);5H,1-4H3,(H,11,12,13,14);4-6H,1-3H3,(H,11,12,13);4-5H,1-3H3,(H,10,11,12,13);1H4
InChIKeyISPGEUDNCDOASC-UHFFFAOYSA-N
MW732.00 g/mol
LogP9.90
Rot. Bonds4

About 5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine

5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine (PubChem CID 158793708) has the molecular formula C41H57N13 and a molecular weight of 732.00 g/mol. Its IUPAC name is 5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine.

Molecular Properties

Compound Name5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine
PubChem CID158793708
Molecular FormulaC41H57N13
Molecular Weight732.00 g/mol
Exact Mass731.49
IUPAC Name5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine
SMILESC.Cc1ccc2nc(C(C)C)[nH]c2c1.Cc1cnc2nc(C(C)C)[nH]c2c1.Cc1nc2nc(C(C)C)[nH]c2nc1C.Cc1ncc2[nH]c(C(C)C)nc2n1
InChIInChI=1S/C11H14N2.C10H14N4.C10H13N3.C9H12N4.CH4/c1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-5(2)8-13-9-10(14-8)12-7(4)6(3)11-9;1-6(2)9-12-8-4-7(3)5-11-10(8)13-9;1-5(2)8-12-7-4-10-6(3)11-9(7)13-8;/h4-7H,1-3H3,(H,12,13);5H,1-4H3,(H,11,12,13,14);4-6H,1-3H3,(H,11,12,13);4-5H,1-3H3,(H,10,11,12,13);1H4
InChIKeyISPGEUDNCDOASC-UHFFFAOYSA-N
XLogP9.90
TPSA179.17 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.00
LogP ≤ 59.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine?
The IUPAC name of 5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine (CID 158793708) is 5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine.
What is the SMILES notation for 5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine?
The canonical SMILES for 5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine is C.Cc1ccc2nc(C(C)C)[nH]c2c1.Cc1cnc2nc(C(C)C)[nH]c2c1.Cc1nc2nc(C(C)C)[nH]c2nc1C.Cc1ncc2[nH]c(C(C)C)nc2n1.
What is the InChIKey of 5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine?
The InChIKey is ISPGEUDNCDOASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C10H14N4.C10H13N3.C9H12N4.CH4/c1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-5(2)8-13-9-10(14-8)12-7(4)6(3)11-9;1-6(2)9-12-8-4-7(3)5-11-10(8)13-9;1-5(2)8-12-7-4-10-6(3)11-9(7)13-8;/h4-7H,1-3H3,(H,12,13);5H,1-4H3,(H,11,12,13,14);4-6H,1-3H3,(H,11,12,13);4-5H,1-3H3,(H,10,11,12,13);1H4.
What are the key properties of 5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine?
5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine has a molecular weight of 732.00 g/mol, XLogP of 9.90, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine is sourced from PubChem (CID 158793708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).