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

C21H20N4O2 — CID 53065881

IUPAC3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
SMILESCc1ccccc1-c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1
InChIInChI=1S/C21H20N4O2/c1-13-6-2-5-9-16(13)20-23-19(24-27-20)14-10-11-18-17(12-14)22-21(26)25(18)15-7-3-4-8-15/h2,5-6,9-12,15H,3-4,7-8H2,1H3,(H,22,26)
InChIKeyWXKQAOFYKMOMDE-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.47
Rot. Bonds3

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

3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one (PubChem CID 53065881) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
PubChem CID53065881
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
SMILESCc1ccccc1-c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1
InChIInChI=1S/C21H20N4O2/c1-13-6-2-5-9-16(13)20-23-19(24-27-20)14-10-11-18-17(12-14)22-21(26)25(18)15-7-3-4-8-15/h2,5-6,9-12,15H,3-4,7-8H2,1H3,(H,22,26)
InChIKeyWXKQAOFYKMOMDE-UHFFFAOYSA-N
XLogP4.47
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065890
N-[5-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide
CID 53065857
N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53065853
3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065864
N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide
CID 92888806
3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289457
6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one
CID 53033622
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one
CID 53033621
3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 59080532
6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065745

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one (CID 53065881) is 3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one is Cc1ccccc1-c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1.
What is the InChIKey of 3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one?
The InChIKey is WXKQAOFYKMOMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-6-2-5-9-16(13)20-23-19(24-27-20)14-10-11-18-17(12-14)22-21(26)25(18)15-7-3-4-8-15/h2,5-6,9-12,15H,3-4,7-8H2,1H3,(H,22,26).
What are the key properties of 3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one?
3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one has a molecular weight of 360.42 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 53065881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).