3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole

C19H19N5OS — CID 53041034

IUPAC3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCC3)no2)c1
InChIInChI=1S/C19H19N5OS/c1-2-8-23(7-1)9-10-24-13-20-15-12-14(5-6-16(15)24)18-21-19(25-22-18)17-4-3-11-26-17/h3-6,11-13H,1-2,7-10H2
InChIKeyPPOBFOOKRYRRGX-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.91
Rot. Bonds5

About 3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole

3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 53041034) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID53041034
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCC3)no2)c1
InChIInChI=1S/C19H19N5OS/c1-2-8-23(7-1)9-10-24-13-20-15-12-14(5-6-16(15)24)18-21-19(25-22-18)17-4-3-11-26-17/h3-6,11-13H,1-2,7-10H2
InChIKeyPPOBFOOKRYRRGX-UHFFFAOYSA-N
XLogP3.91
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-Phenyl-3-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 44274437
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277680
5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277684
1-{2-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1H-benzimidazole
CID 51045136
5-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-YL]-1-[2-(pyrrolidin-1-YL)ethyl]-1H-1,3-benzodiazole
CID 53041032
5-[5-(3-Fluorophenyl)-1,2,4-oxadiazol-3-YL]-1-[2-(pyrrolidin-1-YL)ethyl]-1H-1,3-benzodiazole
CID 53041042
5-[5-(2,5-Difluorophenyl)-1,2,4-oxadiazol-3-YL]-1-[2-(pyrrolidin-1-YL)ethyl]-1H-1,3-benzodiazole
CID 53041046
3-(1,2-diethyl-1H-1,3-benzimidazol-6-yl)-5-(3-thienyl)-1,2,4-oxadiazole
CID 53172761
N-{[3-(1-Propyl-1H-1,3-benzodiazol-5-YL)-1,2,4-oxadiazol-5-YL]methyl}thiophene-2-carboxamide
CID 22586354
3-(3-Pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 2797603
N-{[1-(Propan-2-YL)-1H-1,3-benzodiazol-5-YL]methyl}thiophene-2-carboxamide
CID 50844493
1-Ethyl-6-(5-phenyl-1,2,4-oxadiazol-3-YL)-1H-1,3-benzodiazole
CID 53040271

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 53041034) is 3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole is c1csc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCC3)no2)c1.
What is the InChIKey of 3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is PPOBFOOKRYRRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-2-8-23(7-1)9-10-24-13-20-15-12-14(5-6-16(15)24)18-21-19(25-22-18)17-4-3-11-26-17/h3-6,11-13H,1-2,7-10H2.
What are the key properties of 3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 365.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53041034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).