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

C28H34N6O — CID 24799977

IUPAC6-methyl-2-[[6-[(N-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(C)CC3)nc3ccc(CN(C)c4ccccc4)cc32)n1
InChIInChI=1S/C28H34N6O/c1-20-9-12-27(35)25(29-20)19-34-26-17-21(18-33(3)23-7-5-4-6-8-23)10-11-24(26)31-28(34)30-22-13-15-32(2)16-14-22/h4-12,17,22,35H,13-16,18-19H2,1-3H3,(H,30,31)
InChIKeyMJYGFHYQTLKHAA-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.64
Rot. Bonds7

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

6-methyl-2-[[6-[(N-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol (PubChem CID 24799977) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is 6-methyl-2-[[6-[(N-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[6-[(N-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol
PubChem CID24799977
Molecular FormulaC28H34N6O
Molecular Weight470.62 g/mol
Exact Mass470.28
IUPAC Name6-methyl-2-[[6-[(N-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(C)CC3)nc3ccc(CN(C)c4ccccc4)cc32)n1
InChIInChI=1S/C28H34N6O/c1-20-9-12-27(35)25(29-20)19-34-26-17-21(18-33(3)23-7-5-4-6-8-23)10-11-24(26)31-28(34)30-22-13-15-32(2)16-14-22/h4-12,17,22,35H,13-16,18-19H2,1-3H3,(H,30,31)
InChIKeyMJYGFHYQTLKHAA-UHFFFAOYSA-N
XLogP4.64
TPSA69.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[6-[(N-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[6-[(N-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol (CID 24799977) is 6-methyl-2-[[6-[(N-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-[(N-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[6-[(N-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol is Cc1ccc(O)c(Cn2c(NC3CCN(C)CC3)nc3ccc(CN(C)c4ccccc4)cc32)n1.
What is the InChIKey of 6-methyl-2-[[6-[(N-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The InChIKey is MJYGFHYQTLKHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O/c1-20-9-12-27(35)25(29-20)19-34-26-17-21(18-33(3)23-7-5-4-6-8-23)10-11-24(26)31-28(34)30-22-13-15-32(2)16-14-22/h4-12,17,22,35H,13-16,18-19H2,1-3H3,(H,30,31).
What are the key properties of 6-methyl-2-[[6-[(N-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
6-methyl-2-[[6-[(N-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 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[6-[(N-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 24799977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).