6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one

C17H19N3O2 — CID 90683369

IUPAC6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one
SMILESCN(C)CCOc1ccc2c(c1)[nH]c(=O)n2-c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-19(2)10-11-22-14-8-9-16-15(12-14)18-17(21)20(16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,21)
InChIKeyZWYRNOXVSAXFSK-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.26
Rot. Bonds5

About 6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one

6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one (PubChem CID 90683369) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one
PubChem CID90683369
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one
SMILESCN(C)CCOc1ccc2c(c1)[nH]c(=O)n2-c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-19(2)10-11-22-14-8-9-16-15(12-14)18-17(21)20(16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,21)
InChIKeyZWYRNOXVSAXFSK-UHFFFAOYSA-N
XLogP2.26
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one (CID 90683369) is 6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one is CN(C)CCOc1ccc2c(c1)[nH]c(=O)n2-c1ccccc1.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one?
The InChIKey is ZWYRNOXVSAXFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19(2)10-11-22-14-8-9-16-15(12-14)18-17(21)20(16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,21).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one?
6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-3-phenyl-1H-benzimidazol-2-one is sourced from PubChem (CID 90683369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).