3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one

C23H23N3O2 — CID 164611085

IUPAC3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(OCCNCc3ccccc3)cccc2n1Cc1ccccc1
InChIInChI=1S/C23H23N3O2/c27-23-25-22-20(26(23)17-19-10-5-2-6-11-19)12-7-13-21(22)28-15-14-24-16-18-8-3-1-4-9-18/h1-13,24H,14-17H2,(H,25,27)
InChIKeyANHGJPIQEGVWNM-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.55
Rot. Bonds8

About 3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one

3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one (PubChem CID 164611085) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one
PubChem CID164611085
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(OCCNCc3ccccc3)cccc2n1Cc1ccccc1
InChIInChI=1S/C23H23N3O2/c27-23-25-22-20(26(23)17-19-10-5-2-6-11-19)12-7-13-21(22)28-15-14-24-16-18-8-3-1-4-9-18/h1-13,24H,14-17H2,(H,25,27)
InChIKeyANHGJPIQEGVWNM-UHFFFAOYSA-N
XLogP3.55
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one?
The IUPAC name of 3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one (CID 164611085) is 3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one?
The canonical SMILES for 3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one is O=c1[nH]c2c(OCCNCc3ccccc3)cccc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one?
The InChIKey is ANHGJPIQEGVWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-23-25-22-20(26(23)17-19-10-5-2-6-11-19)12-7-13-21(22)28-15-14-24-16-18-8-3-1-4-9-18/h1-13,24H,14-17H2,(H,25,27).
What are the key properties of 3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one?
3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one has a molecular weight of 373.46 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-[2-(benzylamino)ethoxy]-1H-benzimidazol-2-one is sourced from PubChem (CID 164611085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).