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

C21H23N3O — CID 6458746

IUPAC4-(1-ethylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCCn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-2-24-19-11-7-6-10-18(19)22-21(24)17-14-20(25)23(15-17)13-12-16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3
InChIKeyCJWATDXISGNHMK-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.61
Rot. Bonds5

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

4-(1-ethylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 6458746) has the molecular formula C21H23N3O and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-(1-ethylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-ethylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID6458746
Molecular FormulaC21H23N3O
Molecular Weight333.43 g/mol
Exact Mass333.18
IUPAC Name4-(1-ethylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCCn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-2-24-19-11-7-6-10-18(19)22-21(24)17-14-20(25)23(15-17)13-12-16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3
InChIKeyCJWATDXISGNHMK-UHFFFAOYSA-N
XLogP3.61
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one (CID 6458746) is 4-(1-ethylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-ethylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-ethylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one is CCn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of 4-(1-ethylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is CJWATDXISGNHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-24-19-11-7-6-10-18(19)22-21(24)17-14-20(25)23(15-17)13-12-16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3.
What are the key properties of 4-(1-ethylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
4-(1-ethylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 333.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 6458746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).