5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one

C19H20N4O2 — CID 166291024

IUPAC5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C1CCC(CNCc2ccc3[nH]c(=O)[nH]c3c2)(c2ccccc2)N1
InChIInChI=1S/C19H20N4O2/c24-17-8-9-19(23-17,14-4-2-1-3-5-14)12-20-11-13-6-7-15-16(10-13)22-18(25)21-15/h1-7,10,20H,8-9,11-12H2,(H,23,24)(H2,21,22,25)
InChIKeyJEAKVDXVAKSBGK-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.75
Rot. Bonds5

About 5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one

5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 166291024) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID166291024
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C1CCC(CNCc2ccc3[nH]c(=O)[nH]c3c2)(c2ccccc2)N1
InChIInChI=1S/C19H20N4O2/c24-17-8-9-19(23-17,14-4-2-1-3-5-14)12-20-11-13-6-7-15-16(10-13)22-18(25)21-15/h1-7,10,20H,8-9,11-12H2,(H,23,24)(H2,21,22,25)
InChIKeyJEAKVDXVAKSBGK-UHFFFAOYSA-N
XLogP1.75
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one (CID 166291024) is 5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one is O=C1CCC(CNCc2ccc3[nH]c(=O)[nH]c3c2)(c2ccccc2)N1.
What is the InChIKey of 5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is JEAKVDXVAKSBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-17-8-9-19(23-17,14-4-2-1-3-5-14)12-20-11-13-6-7-15-16(10-13)22-18(25)21-15/h1-7,10,20H,8-9,11-12H2,(H,23,24)(H2,21,22,25).
What are the key properties of 5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one?
5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 336.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 166291024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).