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

C22H22N4O3 — CID 53065890

IUPAC3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
SMILESCCOc1ccccc1-c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1
InChIInChI=1S/C22H22N4O3/c1-2-28-19-10-6-5-9-16(19)21-24-20(25-29-21)14-11-12-18-17(13-14)23-22(27)26(18)15-7-3-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,27)
InChIKeyUUPWDDLPYRUVSJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.56
Rot. Bonds5

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

3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one (PubChem CID 53065890) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
PubChem CID53065890
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
SMILESCCOc1ccccc1-c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1
InChIInChI=1S/C22H22N4O3/c1-2-28-19-10-6-5-9-16(19)21-24-20(25-29-21)14-11-12-18-17(13-14)23-22(27)26(18)15-7-3-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,27)
InChIKeyUUPWDDLPYRUVSJ-UHFFFAOYSA-N
XLogP4.56
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065881
N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53065853
N-[5-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide
CID 53065857
5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030827
5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030882
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one
CID 53033622
6-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-propyl-1H-benzimidazol-2-one
CID 53065834
N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide
CID 92888806
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 2231572
3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065864
5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
CID 146297070

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one (CID 53065890) is 3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one is CCOc1ccccc1-c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1.
What is the InChIKey of 3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one?
The InChIKey is UUPWDDLPYRUVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-2-28-19-10-6-5-9-16(19)21-24-20(25-29-21)14-11-12-18-17(13-14)23-22(27)26(18)15-7-3-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,27).
What are the key properties of 3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one?
3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one has a molecular weight of 390.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 53065890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).