4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one

C19H19N3O — CID 6460887

IUPAC4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3[nH]2)CN1CCc1ccccc1
InChIInChI=1S/C19H19N3O/c23-18-12-15(19-20-16-8-4-5-9-17(16)21-19)13-22(18)11-10-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,21)
InChIKeyNVJCFIJXUYBZOC-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.12
Rot. Bonds4

About 4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one

4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 6460887) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID6460887
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3[nH]2)CN1CCc1ccccc1
InChIInChI=1S/C19H19N3O/c23-18-12-15(19-20-16-8-4-5-9-17(16)21-19)13-22(18)11-10-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,21)
InChIKeyNVJCFIJXUYBZOC-UHFFFAOYSA-N
XLogP3.12
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 40713858
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
(4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 40712600
4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005702
4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 3159987
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168709436
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-chloropyrrolidin-2-one
CID 168688678
(4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125163006
(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one
CID 7080465
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663130
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168685350
4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45231611

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one (CID 6460887) is 4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one is O=C1CC(c2nc3ccccc3[nH]2)CN1CCc1ccccc1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is NVJCFIJXUYBZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-18-12-15(19-20-16-8-4-5-9-17(16)21-19)13-22(18)11-10-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,21).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 6460887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).