1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one

C23H27N3O3 — CID 4754285

IUPAC1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(OC)c(N2CC(c3nc4ccccc4n3CC(C)C)CC2=O)c1
InChIInChI=1S/C23H27N3O3/c1-15(2)13-26-19-8-6-5-7-18(19)24-23(26)16-11-22(27)25(14-16)20-12-17(28-3)9-10-21(20)29-4/h5-10,12,15-16H,11,13-14H2,1-4H3
InChIKeyNYJFVPOZRFQBJW-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.23
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 4754285) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID4754285
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(OC)c(N2CC(c3nc4ccccc4n3CC(C)C)CC2=O)c1
InChIInChI=1S/C23H27N3O3/c1-15(2)13-26-19-8-6-5-7-18(19)24-23(26)16-11-22(27)25(14-16)20-12-17(28-3)9-10-21(20)29-4/h5-10,12,15-16H,11,13-14H2,1-4H3
InChIKeyNYJFVPOZRFQBJW-UHFFFAOYSA-N
XLogP4.23
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003802
(4R)-1-(4-methoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40504927
(4R)-1-(2,5-dimethoxyphenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080640
1-(2,5-dimethoxyphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754280
1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003806
4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 17003811
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-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003889
1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 3786381
1-(2,5-dimethoxyphenyl)-4-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003856
1-(2,5-dimethoxyphenyl)-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003877

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 4754285) is 1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one is COc1ccc(OC)c(N2CC(c3nc4ccccc4n3CC(C)C)CC2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is NYJFVPOZRFQBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(2)13-26-19-8-6-5-7-18(19)24-23(26)16-11-22(27)25(14-16)20-12-17(28-3)9-10-21(20)29-4/h5-10,12,15-16H,11,13-14H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 393.49 g/mol, XLogP of 4.23, 6 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-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 4754285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).