2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C24H26N4O — CID 5279674

IUPAC2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cc(C)c2nc(NCCc3ccccc3)n(Cc3nc(C)ccc3O)c2c1
InChIInChI=1S/C24H26N4O/c1-16-13-17(2)23-21(14-16)28(15-20-22(29)10-9-18(3)26-20)24(27-23)25-12-11-19-7-5-4-6-8-19/h4-10,13-14,29H,11-12,15H2,1-3H3,(H,25,27)
InChIKeyHLGWGMNUXMHXFV-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.77
Rot. Bonds6

About 2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 5279674) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID5279674
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cc(C)c2nc(NCCc3ccccc3)n(Cc3nc(C)ccc3O)c2c1
InChIInChI=1S/C24H26N4O/c1-16-13-17(2)23-21(14-16)28(15-20-22(29)10-9-18(3)26-20)24(27-23)25-12-11-19-7-5-4-6-8-19/h4-10,13-14,29H,11-12,15H2,1-3H3,(H,25,27)
InChIKeyHLGWGMNUXMHXFV-UHFFFAOYSA-N
XLogP4.77
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 5279674) is 2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1cc(C)c2nc(NCCc3ccccc3)n(Cc3nc(C)ccc3O)c2c1.
What is the InChIKey of 2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is HLGWGMNUXMHXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-16-13-17(2)23-21(14-16)28(15-20-22(29)10-9-18(3)26-20)24(27-23)25-12-11-19-7-5-4-6-8-19/h4-10,13-14,29H,11-12,15H2,1-3H3,(H,25,27).
What are the key properties of 2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 386.50 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 5279674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).