6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol

C28H34N6O — CID 24800152

IUPAC6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol
SMILESCc1cccc(NCc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1
InChIInChI=1S/C28H34N6O/c1-19-5-4-6-23(15-19)29-17-21-8-9-24-26(16-21)34(18-25-27(35)10-7-20(2)30-25)28(32-24)31-22-11-13-33(3)14-12-22/h4-10,15-16,22,29,35H,11-14,17-18H2,1-3H3,(H,31,32)
InChIKeyKWZNLEPPNXWZKD-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.92
Rot. Bonds7

About 6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol

6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol (PubChem CID 24800152) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is 6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol
PubChem CID24800152
Molecular FormulaC28H34N6O
Molecular Weight470.62 g/mol
Exact Mass470.28
IUPAC Name6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol
SMILESCc1cccc(NCc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1
InChIInChI=1S/C28H34N6O/c1-19-5-4-6-23(15-19)29-17-21-8-9-24-26(16-21)34(18-25-27(35)10-7-20(2)30-25)28(32-24)31-22-11-13-33(3)14-12-22/h4-10,15-16,22,29,35H,11-14,17-18H2,1-3H3,(H,31,32)
InChIKeyKWZNLEPPNXWZKD-UHFFFAOYSA-N
XLogP4.92
TPSA78.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol (CID 24800152) is 6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol is Cc1cccc(NCc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.
What is the InChIKey of 6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The InChIKey is KWZNLEPPNXWZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O/c1-19-5-4-6-23(15-19)29-17-21-8-9-24-26(16-21)34(18-25-27(35)10-7-20(2)30-25)28(32-24)31-22-11-13-33(3)14-12-22/h4-10,15-16,22,29,35H,11-14,17-18H2,1-3H3,(H,31,32).
What are the key properties of 6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol has a molecular weight of 470.62 g/mol, XLogP of 4.92, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 24800152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).