1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one

C21H23N3O — CID 4753906

IUPAC1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCn1c(C2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-4-23-18-8-6-5-7-17(18)22-21(23)16-12-20(25)24(13-16)19-11-14(2)9-10-15(19)3/h5-11,16H,4,12-13H2,1-3H3
InChIKeyZTQVZVRIBLHFLX-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.19
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one

1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 4753906) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID4753906
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCn1c(C2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-4-23-18-8-6-5-7-17(18)22-21(23)16-12-20(25)24(13-16)19-11-14(2)9-10-15(19)3/h5-11,16H,4,12-13H2,1-3H3
InChIKeyZTQVZVRIBLHFLX-UHFFFAOYSA-N
XLogP4.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4293513
(4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 6941306
(4S)-1-(2,5-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 51430290
1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003107
(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136839
(4R)-1-(2,5-dimethylphenyl)-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812682
2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 17003086
(4R)-1-(5-chloro-2-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136807
4-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(2,5-dimethylphenyl)pyrrolidin-2-one
CID 17003014
2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 17003088
4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 3698723
(4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7136813

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one (CID 4753906) is 1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one is CCn1c(C2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is ZTQVZVRIBLHFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-4-23-18-8-6-5-7-17(18)22-21(23)16-12-20(25)24(13-16)19-11-14(2)9-10-15(19)3/h5-11,16H,4,12-13H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 4753906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).