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

C21H23N3O3 — CID 17003802

IUPAC1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCn1c(C2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21
InChIInChI=1S/C21H23N3O3/c1-4-23-17-8-6-5-7-16(17)22-21(23)14-11-20(25)24(13-14)18-12-15(26-2)9-10-19(18)27-3/h5-10,12,14H,4,11,13H2,1-3H3
InChIKeyGXUOCBPMCXHYHA-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.59
Rot. Bonds5

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

1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 17003802) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID17003802
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCn1c(C2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21
InChIInChI=1S/C21H23N3O3/c1-4-23-17-8-6-5-7-16(17)22-21(23)14-11-20(25)24(13-14)18-12-15(26-2)9-10-19(18)27-3/h5-10,12,14H,4,11,13H2,1-3H3
InChIKeyGXUOCBPMCXHYHA-UHFFFAOYSA-N
XLogP3.59
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003806
1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754285
(4R)-1-(2,5-dimethoxyphenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080640
4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 17003811
1-(2,5-dimethoxyphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754280
1-(2,5-dimethoxyphenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754289
(4R)-1-(2,5-dimethoxyphenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814702
1-(2,5-dimethoxyphenyl)-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003877
1-(2,5-dimethoxyphenyl)-4-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003856
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 17003905
1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003907
1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4754335

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one (CID 17003802) is 1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one is CCn1c(C2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is GXUOCBPMCXHYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-23-17-8-6-5-7-16(17)22-21(23)14-11-20(25)24(13-14)18-12-15(26-2)9-10-19(18)27-3/h5-10,12,14H,4,11,13H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 365.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 17003802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).