1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one

C20H21N3O — CID 4754173

IUPAC1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C20H21N3O/c1-2-23-18-11-7-6-10-17(18)21-20(23)16-12-19(24)22(14-16)13-15-8-4-3-5-9-15/h3-11,16H,2,12-14H2,1H3
InChIKeyKIYHVCRWRSCTLI-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.57
Rot. Bonds4

About 1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one

1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 4754173) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID4754173
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C20H21N3O/c1-2-23-18-11-7-6-10-17(18)21-20(23)16-12-19(24)22(14-16)13-15-8-4-3-5-9-15/h3-11,16H,2,12-14H2,1H3
InChIKeyKIYHVCRWRSCTLI-UHFFFAOYSA-N
XLogP3.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one (CID 4754173) is 1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one is CCn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of 1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is KIYHVCRWRSCTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-23-18-11-7-6-10-17(18)21-20(23)16-12-19(24)22(14-16)13-15-8-4-3-5-9-15/h3-11,16H,2,12-14H2,1H3.
What are the key properties of 1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 4754173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).