3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one

C25H25N5O3 — CID 53065864

IUPAC3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
SMILESCc1ccc(N2CC(c3nc(-c4ccc5c(c4)[nH]c(=O)n5C4CCCC4)no3)CC2=O)cc1
InChIInChI=1S/C25H25N5O3/c1-15-6-9-18(10-7-15)29-14-17(13-22(29)31)24-27-23(28-33-24)16-8-11-21-20(12-16)26-25(32)30(21)19-4-2-3-5-19/h6-12,17,19H,2-5,13-14H2,1H3,(H,26,32)
InChIKeyYYHDPIBYIYQFFG-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.32
Rot. Bonds4

About 3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one

3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one (PubChem CID 53065864) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
PubChem CID53065864
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
SMILESCc1ccc(N2CC(c3nc(-c4ccc5c(c4)[nH]c(=O)n5C4CCCC4)no3)CC2=O)cc1
InChIInChI=1S/C25H25N5O3/c1-15-6-9-18(10-7-15)29-14-17(13-22(29)31)24-27-23(28-33-24)16-8-11-21-20(12-16)26-25(32)30(21)19-4-2-3-5-19/h6-12,17,19H,2-5,13-14H2,1H3,(H,26,32)
InChIKeyYYHDPIBYIYQFFG-UHFFFAOYSA-N
XLogP4.32
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 95075916
1,3-dimethyl-6-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 95067702
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908
3-ethyl-6-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065702
6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one
CID 53065679
(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065739
(4R)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586046
6-[5-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1-cyclopentyl-3-methylquinoxalin-2-one
CID 95067745
4-ethyl-7-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-quinoxaline-2,3-dione
CID 53065412
3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065881

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one (CID 53065864) is 3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one is Cc1ccc(N2CC(c3nc(-c4ccc5c(c4)[nH]c(=O)n5C4CCCC4)no3)CC2=O)cc1.
What is the InChIKey of 3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one?
The InChIKey is YYHDPIBYIYQFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-15-6-9-18(10-7-15)29-14-17(13-22(29)31)24-27-23(28-33-24)16-8-11-21-20(12-16)26-25(32)30(21)19-4-2-3-5-19/h6-12,17,19H,2-5,13-14H2,1H3,(H,26,32).
What are the key properties of 3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one?
3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one has a molecular weight of 443.51 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 53065864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).