2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C25H35N5O2 — CID 5279718

IUPAC2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CC(O)C(C)C)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C25H35N5O2/c1-16(2)23(32)15-29-12-10-19(11-13-29)27-25-28-24-17(3)6-5-7-21(24)30(25)14-20-22(31)9-8-18(4)26-20/h5-9,16,19,23,31-32H,10-15H2,1-4H3,(H,27,28)
InChIKeyCWLPIXJAEGIAEL-UHFFFAOYSA-N
MW437.59 g/mol
LogP3.70
Rot. Bonds7

About 2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 5279718) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID5279718
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CC(O)C(C)C)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C25H35N5O2/c1-16(2)23(32)15-29-12-10-19(11-13-29)27-25-28-24-17(3)6-5-7-21(24)30(25)14-20-22(31)9-8-18(4)26-20/h5-9,16,19,23,31-32H,10-15H2,1-4H3,(H,27,28)
InChIKeyCWLPIXJAEGIAEL-UHFFFAOYSA-N
XLogP3.70
TPSA86.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 5279718) is 2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(Cn2c(NC3CCN(CC(O)C(C)C)CC3)nc3c(C)cccc32)n1.
What is the InChIKey of 2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is CWLPIXJAEGIAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-16(2)23(32)15-29-12-10-19(11-13-29)27-25-28-24-17(3)6-5-7-21(24)30(25)14-20-22(31)9-8-18(4)26-20/h5-9,16,19,23,31-32H,10-15H2,1-4H3,(H,27,28).
What are the key properties of 2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 437.59 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 5279718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).