2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol

C51H64N10O4 — CID 158224034

IUPAC2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CCO)CC3)nc3c(C)cccc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2c(NC3CCN(CCO)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C29H35N5O2.C22H29N5O2/c1-21-7-6-10-26-28(21)32-29(31-24-13-15-33(16-14-24)17-18-35)34(26)19-25-27(12-11-22(2)30-25)36-20-23-8-4-3-5-9-23;1-15-4-3-5-19-21(15)25-22(24-17-8-10-26(11-9-17)12-13-28)27(19)14-18-20(29)7-6-16(2)23-18/h3-12,24,35H,13-20H2,1-2H3,(H,31,32);3-7,17,28-29H,8-14H2,1-2H3,(H,24,25)
InChIKeyGDOVNQJUFKYPIX-UHFFFAOYSA-N
MW881.14 g/mol
LogP7.21
Rot. Bonds15

About 2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol

2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol (PubChem CID 158224034) has the molecular formula C51H64N10O4 and a molecular weight of 881.14 g/mol. Its IUPAC name is 2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol
PubChem CID158224034
Molecular FormulaC51H64N10O4
Molecular Weight881.14 g/mol
Exact Mass880.51
IUPAC Name2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CCO)CC3)nc3c(C)cccc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2c(NC3CCN(CCO)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C29H35N5O2.C22H29N5O2/c1-21-7-6-10-26-28(21)32-29(31-24-13-15-33(16-14-24)17-18-35)34(26)19-25-27(12-11-22(2)30-25)36-20-23-8-4-3-5-9-23;1-15-4-3-5-19-21(15)25-22(24-17-8-10-26(11-9-17)12-13-28)27(19)14-18-20(29)7-6-16(2)23-18/h3-12,24,35H,13-20H2,1-2H3,(H,31,32);3-7,17,28-29H,8-14H2,1-2H3,(H,24,25)
InChIKeyGDOVNQJUFKYPIX-UHFFFAOYSA-N
XLogP7.21
TPSA161.88 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500881.14
LogP ≤ 57.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol with MolForge

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Related Compounds

Tmc-353121
CID 11249932
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-[[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
6-Methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)-4-piperidyl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
CID 5279701
2-[[2-[[1-(2-Hydroxyethyl)-4-piperidyl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 5279705
2-[[6-[[2-(2-Hydroxyethyl)anilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799468
2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24801034
2-[[6-[[2-(3-Hydroxypropyl)anilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24801205
2-[[2-[[1-(2-Hydroxy-3,3-dimethyl-butyl)-4-piperidyl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 5279733
2-[[4,6-Dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 17759282
2-[[2-[[1-(2-Hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799091

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol?
The IUPAC name of 2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol (CID 158224034) is 2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol is Cc1ccc(O)c(Cn2c(NC3CCN(CCO)CC3)nc3c(C)cccc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2c(NC3CCN(CCO)CC3)nc3c(C)cccc32)n1.
What is the InChIKey of 2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol?
The InChIKey is GDOVNQJUFKYPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2.C22H29N5O2/c1-21-7-6-10-26-28(21)32-29(31-24-13-15-33(16-14-24)17-18-35)34(26)19-25-27(12-11-22(2)30-25)36-20-23-8-4-3-5-9-23;1-15-4-3-5-19-21(15)25-22(24-17-8-10-26(11-9-17)12-13-28)27(19)14-18-20(29)7-6-16(2)23-18/h3-12,24,35H,13-20H2,1-2H3,(H,31,32);3-7,17,28-29H,8-14H2,1-2H3,(H,24,25).
What are the key properties of 2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol?
2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol has a molecular weight of 881.14 g/mol, XLogP of 7.21, 15 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 158224034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).