methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine

C32H44N12 — CID 159628281

IUPACmethane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine
SMILESC.C.C.C.Cc1nc2ccccc2[nH]1.Cc1nc2ccncc2[nH]1.Cc1nc2ncccc2[nH]1.Cc1nc2ncncc2[nH]1
InChIInChI=1S/C8H8N2.2C7H7N3.C6H6N4.4CH4/c1-6-9-7-4-2-3-5-8(7)10-6;1-5-9-6-2-3-8-4-7(6)10-5;1-5-9-6-3-2-4-8-7(6)10-5;1-4-9-5-2-7-3-8-6(5)10-4;;;;/h2-5H,1H3,(H,9,10);2-4H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10);2-3H,1H3,(H,7,8,9,10);4*1H4
InChIKeyMOTZYUPOVFIWQF-UHFFFAOYSA-N
MW596.79 g/mol
LogP7.61
Rot. Bonds

About methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine

methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine (PubChem CID 159628281) has the molecular formula C32H44N12 and a molecular weight of 596.79 g/mol. Its IUPAC name is methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine.

Molecular Properties

Compound Namemethane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine
PubChem CID159628281
Molecular FormulaC32H44N12
Molecular Weight596.79 g/mol
Exact Mass596.38
IUPAC Namemethane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine
SMILESC.C.C.C.Cc1nc2ccccc2[nH]1.Cc1nc2ccncc2[nH]1.Cc1nc2ncccc2[nH]1.Cc1nc2ncncc2[nH]1
InChIInChI=1S/C8H8N2.2C7H7N3.C6H6N4.4CH4/c1-6-9-7-4-2-3-5-8(7)10-6;1-5-9-6-2-3-8-4-7(6)10-5;1-5-9-6-3-2-4-8-7(6)10-5;1-4-9-5-2-7-3-8-6(5)10-4;;;;/h2-5H,1H3,(H,9,10);2-4H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10);2-3H,1H3,(H,7,8,9,10);4*1H4
InChIKeyMOTZYUPOVFIWQF-UHFFFAOYSA-N
XLogP7.61
TPSA166.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.79
LogP ≤ 57.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-1H-benzimidazole
CID 11984
2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid
CID 172837895
methanamine;2-methyl-1H-benzimidazole
CID 143453689
ethane;2-methyl-1H-benzimidazole;molecular hydrogen
CID 166167875
ethane;3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 159886415
5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-1H-imidazo[4,5-b]pyridine
CID 155366063
CID 158812485
CID 158812485
2-(2-methoxy-3-pyridinyl)-3H-imidazo[4,5-c]pyridine
CID 63268642
ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene
CID 153400280
8-(2-tert-butylphenyl)-7H-purine
CID 114402739
4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-1,7-naphthyridin-2-one
CID 12988792
CID 59368109
CID 59368109

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine?
The IUPAC name of methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine (CID 159628281) is methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine.
What is the SMILES notation for methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine?
The canonical SMILES for methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine is C.C.C.C.Cc1nc2ccccc2[nH]1.Cc1nc2ccncc2[nH]1.Cc1nc2ncccc2[nH]1.Cc1nc2ncncc2[nH]1.
What is the InChIKey of methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine?
The InChIKey is MOTZYUPOVFIWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.2C7H7N3.C6H6N4.4CH4/c1-6-9-7-4-2-3-5-8(7)10-6;1-5-9-6-2-3-8-4-7(6)10-5;1-5-9-6-3-2-4-8-7(6)10-5;1-4-9-5-2-7-3-8-6(5)10-4;;;;/h2-5H,1H3,(H,9,10);2-4H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10);2-3H,1H3,(H,7,8,9,10);4*1H4.
What are the key properties of methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine?
methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine has a molecular weight of 596.79 g/mol, XLogP of 7.61, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine is sourced from PubChem (CID 159628281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).