6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol

C26H36N6O — CID 5279701

IUPAC6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CCN4CCCC4)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C26H36N6O/c1-19-6-5-7-23-25(19)29-26(32(23)18-22-24(33)9-8-20(2)27-22)28-21-10-14-31(15-11-21)17-16-30-12-3-4-13-30/h5-9,21,33H,3-4,10-18H2,1-2H3,(H,28,29)
InChIKeyWVUGWEAHJZJKDW-UHFFFAOYSA-N
MW448.62 g/mol
LogP3.77
Rot. Bonds7

About 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol

6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol (PubChem CID 5279701) has the molecular formula C26H36N6O and a molecular weight of 448.62 g/mol. Its IUPAC name is 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
PubChem CID5279701
Molecular FormulaC26H36N6O
Molecular Weight448.62 g/mol
Exact Mass448.30
IUPAC Name6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CCN4CCCC4)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C26H36N6O/c1-19-6-5-7-23-25(19)29-26(32(23)18-22-24(33)9-8-20(2)27-22)28-21-10-14-31(15-11-21)17-16-30-12-3-4-13-30/h5-9,21,33H,3-4,10-18H2,1-2H3,(H,28,29)
InChIKeyWVUGWEAHJZJKDW-UHFFFAOYSA-N
XLogP3.77
TPSA69.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol (CID 5279701) is 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol is Cc1ccc(O)c(Cn2c(NC3CCN(CCN4CCCC4)CC3)nc3c(C)cccc32)n1.
What is the InChIKey of 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The InChIKey is WVUGWEAHJZJKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O/c1-19-6-5-7-23-25(19)29-26(32(23)18-22-24(33)9-8-20(2)27-22)28-21-10-14-31(15-11-21)17-16-30-12-3-4-13-30/h5-9,21,33H,3-4,10-18H2,1-2H3,(H,28,29).
What are the key properties of 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol has a molecular weight of 448.62 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 5279701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).