6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol

C21H21N5O — CID 5279696

IUPAC6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NCCc3ccccn3)nc3ccccc32)n1
InChIInChI=1S/C21H21N5O/c1-15-9-10-20(27)18(24-15)14-26-19-8-3-2-7-17(19)25-21(26)23-13-11-16-6-4-5-12-22-16/h2-10,12,27H,11,13-14H2,1H3,(H,23,25)
InChIKeyLEIXKGCWGLNVNA-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.54
Rot. Bonds6

About 6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol

6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol (PubChem CID 5279696) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol
PubChem CID5279696
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NCCc3ccccn3)nc3ccccc32)n1
InChIInChI=1S/C21H21N5O/c1-15-9-10-20(27)18(24-15)14-26-19-8-3-2-7-17(19)25-21(26)23-13-11-16-6-4-5-12-22-16/h2-10,12,27H,11,13-14H2,1H3,(H,23,25)
InChIKeyLEIXKGCWGLNVNA-UHFFFAOYSA-N
XLogP3.54
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol (CID 5279696) is 6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol is Cc1ccc(O)c(Cn2c(NCCc3ccccn3)nc3ccccc32)n1.
What is the InChIKey of 6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol?
The InChIKey is LEIXKGCWGLNVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15-9-10-20(27)18(24-15)14-26-19-8-3-2-7-17(19)25-21(26)23-13-11-16-6-4-5-12-22-16/h2-10,12,27H,11,13-14H2,1H3,(H,23,25).
What are the key properties of 6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol?
6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol has a molecular weight of 359.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 5279696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).