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

C23H29N5O3 — CID 70334343

IUPAC6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(C4OC(C)O4)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C23H29N5O3/c1-14-5-4-6-19-21(14)26-22(28(19)13-18-20(29)8-7-15(2)24-18)25-17-9-11-27(12-10-17)23-30-16(3)31-23/h4-8,16-17,23,29H,9-13H2,1-3H3,(H,25,26)
InChIKeyUDZFYNFZPXGZLG-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.35
Rot. Bonds5

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

6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol (PubChem CID 70334343) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
PubChem CID70334343
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(C4OC(C)O4)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C23H29N5O3/c1-14-5-4-6-19-21(14)26-22(28(19)13-18-20(29)8-7-15(2)24-18)25-17-9-11-27(12-10-17)23-30-16(3)31-23/h4-8,16-17,23,29H,9-13H2,1-3H3,(H,25,26)
InChIKeyUDZFYNFZPXGZLG-UHFFFAOYSA-N
XLogP3.35
TPSA84.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol (CID 70334343) is 6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol is Cc1ccc(O)c(Cn2c(NC3CCN(C4OC(C)O4)CC3)nc3c(C)cccc32)n1.
What is the InChIKey of 6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The InChIKey is UDZFYNFZPXGZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-14-5-4-6-19-21(14)26-22(28(19)13-18-20(29)8-7-15(2)24-18)25-17-9-11-27(12-10-17)23-30-16(3)31-23/h4-8,16-17,23,29H,9-13H2,1-3H3,(H,25,26).
What are the key properties of 6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol has a molecular weight of 423.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 70334343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).