6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one

C19H23N3O2 — CID 87756580

IUPAC6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one
SMILESCN(C)CCCOc1cc(Cc2ccccc2)cc2[nH]c(=O)[nH]c12
InChIInChI=1S/C19H23N3O2/c1-22(2)9-6-10-24-17-13-15(11-14-7-4-3-5-8-14)12-16-18(17)21-19(23)20-16/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H2,20,21,23)
InChIKeyHCKQGMSYEDOXQX-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.78
Rot. Bonds7

About 6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one

6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one (PubChem CID 87756580) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one
PubChem CID87756580
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one
SMILESCN(C)CCCOc1cc(Cc2ccccc2)cc2[nH]c(=O)[nH]c12
InChIInChI=1S/C19H23N3O2/c1-22(2)9-6-10-24-17-13-15(11-14-7-4-3-5-8-14)12-16-18(17)21-19(23)20-16/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H2,20,21,23)
InChIKeyHCKQGMSYEDOXQX-UHFFFAOYSA-N
XLogP2.78
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one (CID 87756580) is 6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one is CN(C)CCCOc1cc(Cc2ccccc2)cc2[nH]c(=O)[nH]c12.
What is the InChIKey of 6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HCKQGMSYEDOXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(2)9-6-10-24-17-13-15(11-14-7-4-3-5-8-14)12-16-18(17)21-19(23)20-16/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H2,20,21,23).
What are the key properties of 6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one?
6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 87756580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).