2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane

C25H38N6O2 — CID 159423862

IUPAC2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane
SMILESC.Cc1ccc(O)c(Cn2c(NC3CCN(CCO)CC3)nc3ccc(CCCN)cc32)n1
InChIInChI=1S/C24H34N6O2.CH4/c1-17-4-7-23(32)21(26-17)16-30-22-15-18(3-2-10-25)5-6-20(22)28-24(30)27-19-8-11-29(12-9-19)13-14-31;/h4-7,15,19,31-32H,2-3,8-14,16,25H2,1H3,(H,27,28);1H4
InChIKeyLQCDCKLMROSLLD-UHFFFAOYSA-N
MW454.62 g/mol
LogP2.89
Rot. Bonds9

About 2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane

2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane (PubChem CID 159423862) has the molecular formula C25H38N6O2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane.

Molecular Properties

Compound Name2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane
PubChem CID159423862
Molecular FormulaC25H38N6O2
Molecular Weight454.62 g/mol
Exact Mass454.31
IUPAC Name2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane
SMILESC.Cc1ccc(O)c(Cn2c(NC3CCN(CCO)CC3)nc3ccc(CCCN)cc32)n1
InChIInChI=1S/C24H34N6O2.CH4/c1-17-4-7-23(32)21(26-17)16-30-22-15-18(3-2-10-25)5-6-20(22)28-24(30)27-19-8-11-29(12-9-19)13-14-31;/h4-7,15,19,31-32H,2-3,8-14,16,25H2,1H3,(H,27,28);1H4
InChIKeyLQCDCKLMROSLLD-UHFFFAOYSA-N
XLogP2.89
TPSA112.46 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[4-[[6-(2-aminoethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate
CID 70336287
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-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanesulfonic acid
CID 142756887
2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 70333466
2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethylurea
CID 156649814
6-methyl-2-[[2-[[2-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]-6-(2-phenylethyl)benzimidazol-1-yl]methyl]pyridin-3-ol
CID 69219197
6-methyl-2-[[2-[(1-methylpiperidin-4-yl)amino]-6-nitrobenzimidazol-1-yl]methyl]pyridin-3-ol
CID 24800321
2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 70319389
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891742
3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoic acid
CID 5279716
N-[1-(4-aminobutyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine;trihydrochloride
CID 156621011
3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propyl 2-phenylacetate
CID 5279707

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane?
The IUPAC name of 2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane (CID 159423862) is 2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane.
What is the SMILES notation for 2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane?
The canonical SMILES for 2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane is C.Cc1ccc(O)c(Cn2c(NC3CCN(CCO)CC3)nc3ccc(CCCN)cc32)n1.
What is the InChIKey of 2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane?
The InChIKey is LQCDCKLMROSLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2.CH4/c1-17-4-7-23(32)21(26-17)16-30-22-15-18(3-2-10-25)5-6-20(22)28-24(30)27-19-8-11-29(12-9-19)13-14-31;/h4-7,15,19,31-32H,2-3,8-14,16,25H2,1H3,(H,27,28);1H4.
What are the key properties of 2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane?
2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane has a molecular weight of 454.62 g/mol, XLogP of 2.89, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane is sourced from PubChem (CID 159423862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).