1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one

C21H23N3O2 — CID 51319062

IUPAC1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2CCCC2c2ccccc2)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-2-22-18-11-6-7-12-19(18)24(21(22)26)15-20(25)23-14-8-13-17(23)16-9-4-3-5-10-16/h3-7,9-12,17H,2,8,13-15H2,1H3
InChIKeyAUQLHGNNFPIIQN-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.19
Rot. Bonds4

About 1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one

1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one (PubChem CID 51319062) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one
PubChem CID51319062
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2CCCC2c2ccccc2)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-2-22-18-11-6-7-12-19(18)24(21(22)26)15-20(25)23-14-8-13-17(23)16-9-4-3-5-10-16/h3-7,9-12,17H,2,8,13-15H2,1H3
InChIKeyAUQLHGNNFPIIQN-UHFFFAOYSA-N
XLogP3.19
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 110886835
2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177808
(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94178599
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
(2R,3R)-2-methyl-1-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122115203
1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one
CID 86971333
1-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-3-ethylbenzimidazol-2-one
CID 55456282
1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 31947890
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
5-cyclopropyl-5-methyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56809766
1-methyl-3-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 24653759

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one (CID 51319062) is 1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one is CCn1c(=O)n(CC(=O)N2CCCC2c2ccccc2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one?
The InChIKey is AUQLHGNNFPIIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-22-18-11-6-7-12-19(18)24(21(22)26)15-20(25)23-14-8-13-17(23)16-9-4-3-5-10-16/h3-7,9-12,17H,2,8,13-15H2,1H3.
What are the key properties of 1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one?
1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one has a molecular weight of 349.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one is sourced from PubChem (CID 51319062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).