5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one

C17H19N3O2 — CID 71942715

IUPAC5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccc(CNC(C)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C17H19N3O2/c1-11(18-10-12-3-6-14(22-2)7-4-12)13-5-8-15-16(9-13)20-17(21)19-15/h3-9,11,18H,10H2,1-2H3,(H2,19,20,21)
InChIKeyJLZKYVBRGZSKNM-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.72
Rot. Bonds5

About 5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 71942715) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID71942715
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccc(CNC(C)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C17H19N3O2/c1-11(18-10-12-3-6-14(22-2)7-4-12)13-5-8-15-16(9-13)20-17(21)19-15/h3-9,11,18H,10H2,1-2H3,(H2,19,20,21)
InChIKeyJLZKYVBRGZSKNM-UHFFFAOYSA-N
XLogP2.72
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 71942715) is 5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is COc1ccc(CNC(C)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is JLZKYVBRGZSKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11(18-10-12-3-6-14(22-2)7-4-12)13-5-8-15-16(9-13)20-17(21)19-15/h3-9,11,18H,10H2,1-2H3,(H2,19,20,21).
What are the key properties of 5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 71942715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).