N,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole

C36H44N10 — CID 54163559

IUPACN,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCNc1ccc(C)cn1.Cc1ccccn1.Cc1nc2c([nH]1)CCCC2.Cc1nc2ccccc2[nH]1.Cc1nc2ncccc2[nH]1
InChIInChI=1S/C8H12N2.C8H8N2.C7H7N3.C7H10N2.C6H7N/c2*1-6-9-7-4-2-3-5-8(7)10-6;1-5-9-6-3-2-4-8-7(6)10-5;1-6-3-4-7(8-2)9-5-6;1-6-4-2-3-5-7-6/h2-5H2,1H3,(H,9,10);2-5H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10);3-5H,1-2H3,(H,8,9);2-5H,1H3
InChIKeyOQCJAUWHLYPEAE-UHFFFAOYSA-N
MW616.82 g/mol
LogP7.56
Rot. Bonds1

About N,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole

N,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 54163559) has the molecular formula C36H44N10 and a molecular weight of 616.82 g/mol. Its IUPAC name is N,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound NameN,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID54163559
Molecular FormulaC36H44N10
Molecular Weight616.82 g/mol
Exact Mass616.38
IUPAC NameN,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCNc1ccc(C)cn1.Cc1ccccn1.Cc1nc2c([nH]1)CCCC2.Cc1nc2ccccc2[nH]1.Cc1nc2ncccc2[nH]1
InChIInChI=1S/C8H12N2.C8H8N2.C7H7N3.C7H10N2.C6H7N/c2*1-6-9-7-4-2-3-5-8(7)10-6;1-5-9-6-3-2-4-8-7(6)10-5;1-6-3-4-7(8-2)9-5-6;1-6-4-2-3-5-7-6/h2-5H2,1H3,(H,9,10);2-5H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10);3-5H,1-2H3,(H,8,9);2-5H,1H3
InChIKeyOQCJAUWHLYPEAE-UHFFFAOYSA-N
XLogP7.56
TPSA136.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.82
LogP ≤ 57.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole with MolForge

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Launch Full Analysis

Related Compounds

2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
BN-81,644
CID 9802572
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
2-(5-Ethyl-2-pyridyl)benzimidazole
CID 49746
3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile
CID 44545901
1-(1-Benzylpiperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973425
2-Methyl-1-(Piperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 57339437
1-(Piperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 57339438
1-Cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
CID 58395044
Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
CID 9826083

Frequently Asked Questions

What is the IUPAC name of N,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of N,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole (CID 54163559) is N,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for N,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for N,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole is CNc1ccc(C)cn1.Cc1ccccn1.Cc1nc2c([nH]1)CCCC2.Cc1nc2ccccc2[nH]1.Cc1nc2ncccc2[nH]1.
What is the InChIKey of N,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is OQCJAUWHLYPEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C8H8N2.C7H7N3.C7H10N2.C6H7N/c2*1-6-9-7-4-2-3-5-8(7)10-6;1-5-9-6-3-2-4-8-7(6)10-5;1-6-3-4-7(8-2)9-5-6;1-6-4-2-3-5-7-6/h2-5H2,1H3,(H,9,10);2-5H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10);3-5H,1-2H3,(H,8,9);2-5H,1H3.
What are the key properties of N,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
N,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 616.82 g/mol, XLogP of 7.56, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethylpyridin-2-amine;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 54163559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).