7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride

C18H22ClN3O2 — CID 69260416

IUPAC7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride
SMILESCNCCOc1ccc(Cc2ccccc2)c2[nH]c(=O)n(C)c12.Cl
InChIInChI=1S/C18H21N3O2.ClH/c1-19-10-11-23-15-9-8-14(12-13-6-4-3-5-7-13)16-17(15)21(2)18(22)20-16;/h3-9,19H,10-12H2,1-2H3,(H,20,22);1H
InChIKeyRFYZKHGHHGHDOF-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.48
Rot. Bonds6

About 7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride

7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride (PubChem CID 69260416) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride
PubChem CID69260416
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride
SMILESCNCCOc1ccc(Cc2ccccc2)c2[nH]c(=O)n(C)c12.Cl
InChIInChI=1S/C18H21N3O2.ClH/c1-19-10-11-23-15-9-8-14(12-13-6-4-3-5-7-13)16-17(15)21(2)18(22)20-16;/h3-9,19H,10-12H2,1-2H3,(H,20,22);1H
InChIKeyRFYZKHGHHGHDOF-UHFFFAOYSA-N
XLogP2.48
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.48
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 7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride (CID 69260416) is 7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride is CNCCOc1ccc(Cc2ccccc2)c2[nH]c(=O)n(C)c12.Cl.
What is the InChIKey of 7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is RFYZKHGHHGHDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2.ClH/c1-19-10-11-23-15-9-8-14(12-13-6-4-3-5-7-13)16-17(15)21(2)18(22)20-16;/h3-9,19H,10-12H2,1-2H3,(H,20,22);1H.
What are the key properties of 7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride?
7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 347.85 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 69260416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).