3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol

C28H33N5O4 — CID 160753459

IUPAC3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cnc2ccc(O)cc21.Cc1ccc(Oc2ccc3ncn(CC(C)(C)O)c3c2)nc1
InChIInChI=1S/C17H19N3O2.C11H14N2O2/c1-12-4-7-16(18-9-12)22-13-5-6-14-15(8-13)20(11-19-14)10-17(2,3)21;1-11(2,15)6-13-7-12-9-4-3-8(14)5-10(9)13/h4-9,11,21H,10H2,1-3H3;3-5,7,14-15H,6H2,1-2H3
InChIKeyRXCWDFJYWGQEKB-UHFFFAOYSA-N
MW503.60 g/mol
LogP4.82
Rot. Bonds6

About 3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol

3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol (PubChem CID 160753459) has the molecular formula C28H33N5O4 and a molecular weight of 503.60 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol
PubChem CID160753459
Molecular FormulaC28H33N5O4
Molecular Weight503.60 g/mol
Exact Mass503.25
IUPAC Name3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cnc2ccc(O)cc21.Cc1ccc(Oc2ccc3ncn(CC(C)(C)O)c3c2)nc1
InChIInChI=1S/C17H19N3O2.C11H14N2O2/c1-12-4-7-16(18-9-12)22-13-5-6-14-15(8-13)20(11-19-14)10-17(2,3)21;1-11(2,15)6-13-7-12-9-4-3-8(14)5-10(9)13/h4-9,11,21H,10H2,1-3H3;3-5,7,14-15H,6H2,1-2H3
InChIKeyRXCWDFJYWGQEKB-UHFFFAOYSA-N
XLogP4.82
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol (CID 160753459) is 3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol is CC(C)(O)Cn1cnc2ccc(O)cc21.Cc1ccc(Oc2ccc3ncn(CC(C)(C)O)c3c2)nc1.
What is the InChIKey of 3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol?
The InChIKey is RXCWDFJYWGQEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2.C11H14N2O2/c1-12-4-7-16(18-9-12)22-13-5-6-14-15(8-13)20(11-19-14)10-17(2,3)21;1-11(2,15)6-13-7-12-9-4-3-8(14)5-10(9)13/h4-9,11,21H,10H2,1-3H3;3-5,7,14-15H,6H2,1-2H3.
What are the key properties of 3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol?
3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol has a molecular weight of 503.60 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 160753459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).