2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C30H38N6O — CID 24799974

IUPAC2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cccc(CCc2ccc3nc(NC4CCN(CCN)CC4)n(Cc4nc(C)ccc4O)c3c2)c1
InChIInChI=1S/C30H38N6O/c1-21-4-3-5-23(18-21)7-8-24-9-10-26-28(19-24)36(20-27-29(37)11-6-22(2)32-27)30(34-26)33-25-12-15-35(16-13-25)17-14-31/h3-6,9-11,18-19,25,37H,7-8,12-17,20,31H2,1-2H3,(H,33,34)
InChIKeyLEXAHGNGILRDIJ-UHFFFAOYSA-N
MW498.68 g/mol
LogP4.42
Rot. Bonds9

About 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 24799974) has the molecular formula C30H38N6O and a molecular weight of 498.68 g/mol. Its IUPAC name is 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID24799974
Molecular FormulaC30H38N6O
Molecular Weight498.68 g/mol
Exact Mass498.31
IUPAC Name2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cccc(CCc2ccc3nc(NC4CCN(CCN)CC4)n(Cc4nc(C)ccc4O)c3c2)c1
InChIInChI=1S/C30H38N6O/c1-21-4-3-5-23(18-21)7-8-24-9-10-26-28(19-24)36(20-27-29(37)11-6-22(2)32-27)30(34-26)33-25-12-15-35(16-13-25)17-14-31/h3-6,9-11,18-19,25,37H,7-8,12-17,20,31H2,1-2H3,(H,33,34)
InChIKeyLEXAHGNGILRDIJ-UHFFFAOYSA-N
XLogP4.42
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.68
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol with MolForge

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Related Compounds

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CID 155805
Tmc-353121
CID 11249932
Jnj-2408068
CID 511013
Cra_1801
CID 1513
2-[[2-[[1-(2-Aminoethyl)-4-piperidyl]amino]benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 511012
2-[[6-[[N-(2-hydroxyethyl)-3,5-dimethylanilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 11168530
2-[[2-[[1-(2-Amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol
CID 22343463
2-[[6-[(3,5-Dimethylanilino)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799465
2-[[6-[[N-(2-hydroxyethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799467
4-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]butanamide
CID 24801203
2-[[2-(3-Aminopropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 44427436
4-Methyl-2-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
CID 930436

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 24799974) is 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1cccc(CCc2ccc3nc(NC4CCN(CCN)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.
What is the InChIKey of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is LEXAHGNGILRDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O/c1-21-4-3-5-23(18-21)7-8-24-9-10-26-28(19-24)36(20-27-29(37)11-6-22(2)32-27)30(34-26)33-25-12-15-35(16-13-25)17-14-31/h3-6,9-11,18-19,25,37H,7-8,12-17,20,31H2,1-2H3,(H,33,34).
What are the key properties of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 498.68 g/mol, XLogP of 4.42, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 24799974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).