2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

C20H23N5O2 — CID 118786881

IUPAC2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCCc1noc([C@@H]2CCCN2C(=O)Cn2c(C3CC3)nc3ccccc32)n1
InChIInChI=1S/C20H23N5O2/c1-2-17-22-20(27-23-17)16-8-5-11-24(16)18(26)12-25-15-7-4-3-6-14(15)21-19(25)13-9-10-13/h3-4,6-7,13,16H,2,5,8-12H2,1H3/t16-/m0/s1
InChIKeyHLIOFLGGQAZGAK-INIZCTEOSA-N
MW365.44 g/mol
LogP3.22
Rot. Bonds5

About 2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 118786881) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID118786881
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCCc1noc([C@@H]2CCCN2C(=O)Cn2c(C3CC3)nc3ccccc32)n1
InChIInChI=1S/C20H23N5O2/c1-2-17-22-20(27-23-17)16-8-5-11-24(16)18(26)12-25-15-7-4-3-6-14(15)21-19(25)13-9-10-13/h3-4,6-7,13,16H,2,5,8-12H2,1H3/t16-/m0/s1
InChIKeyHLIOFLGGQAZGAK-INIZCTEOSA-N
XLogP3.22
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 30956704
(E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 51984750
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-phenylbutan-1-one
CID 56728305
2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 26864495
2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 138992910
2-(2-cyclopropylbenzimidazol-1-yl)-1-[(3R)-3-ethoxypiperidin-1-yl]ethanone
CID 95283403
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 78084856
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-methoxyethanone
CID 56728217
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16996738
1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92721055

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (CID 118786881) is 2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is CCc1noc([C@@H]2CCCN2C(=O)Cn2c(C3CC3)nc3ccccc32)n1.
What is the InChIKey of 2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is HLIOFLGGQAZGAK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-17-22-20(27-23-17)16-8-5-11-24(16)18(26)12-25-15-7-4-3-6-14(15)21-19(25)13-9-10-13/h3-4,6-7,13,16H,2,5,8-12H2,1H3/t16-/m0/s1.
What are the key properties of 2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 365.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 118786881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).