N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

C22H21N5O3 — CID 53065853

IUPACN-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1)c1ccccc1
InChIInChI=1S/C22H21N5O3/c28-21(14-6-2-1-3-7-14)23-13-19-25-20(26-30-19)15-10-11-18-17(12-15)24-22(29)27(18)16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,23,28)(H,24,29)
InChIKeyABQQOUHOTHWQNF-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.42
Rot. Bonds5

About N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 53065853) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID53065853
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1)c1ccccc1
InChIInChI=1S/C22H21N5O3/c28-21(14-6-2-1-3-7-14)23-13-19-25-20(26-30-19)15-10-11-18-17(12-15)24-22(29)27(18)16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,23,28)(H,24,29)
InChIKeyABQQOUHOTHWQNF-UHFFFAOYSA-N
XLogP3.42
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide with MolForge

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Related Compounds

3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065881
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 71170291
N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide
CID 92888806
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-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53065324
N-[[3-(5-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 50808279
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 6489617
N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53172597
N-[4-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 53065740
N-[[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53141079
N-[[3-(2,3-dioxo-1-propan-2-yl-4H-quinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 53065465

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 53065853) is N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is O=C(NCc1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1)c1ccccc1.
What is the InChIKey of N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is ABQQOUHOTHWQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c28-21(14-6-2-1-3-7-14)23-13-19-25-20(26-30-19)15-10-11-18-17(12-15)24-22(29)27(18)16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,23,28)(H,24,29).
What are the key properties of N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 403.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 53065853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).