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

C20H21N3O — CID 6459340

IUPAC4-(1-methylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C20H21N3O/c1-22-18-10-6-5-9-17(18)21-20(22)16-13-19(24)23(14-16)12-11-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3
InChIKeyWWRNFMCBCVERRO-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.13
Rot. Bonds4

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

4-(1-methylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 6459340) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID6459340
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-(1-methylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C20H21N3O/c1-22-18-10-6-5-9-17(18)21-20(22)16-13-19(24)23(14-16)12-11-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3
InChIKeyWWRNFMCBCVERRO-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one (CID 6459340) is 4-(1-methylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one is Cn1c(C2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is WWRNFMCBCVERRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-22-18-10-6-5-9-17(18)21-20(22)16-13-19(24)23(14-16)12-11-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3.
What are the key properties of 4-(1-methylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
4-(1-methylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 6459340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).