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

C19H23N5O — CID 53041039

IUPAC5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1noc(C3CCC3)n1)ncn2CCN1CCCC1
InChIInChI=1S/C19H23N5O/c1-2-9-23(8-1)10-11-24-13-20-16-12-15(6-7-17(16)24)18-21-19(25-22-18)14-4-3-5-14/h6-7,12-14H,1-5,8-11H2
InChIKeyRJPJKIFVLVEHAA-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.45
Rot. Bonds5

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

5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole (PubChem CID 53041039) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
PubChem CID53041039
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1noc(C3CCC3)n1)ncn2CCN1CCCC1
InChIInChI=1S/C19H23N5O/c1-2-9-23(8-1)10-11-24-13-20-16-12-15(6-7-17(16)24)18-21-19(25-22-18)14-4-3-5-14/h6-7,12-14H,1-5,8-11H2
InChIKeyRJPJKIFVLVEHAA-UHFFFAOYSA-N
XLogP3.45
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53011635
3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 53180015
(4S)-1-phenyl-4-[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95075912
5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 69079010
3-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-piperidin-1-ylpropan-1-one
CID 171352776
N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53180053
4-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine
CID 53133392
3-[5-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031728
3-[5-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031712
5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole
CID 53141117
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165487010

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole (CID 53041039) is 5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole is c1cc2c(cc1-c1noc(C3CCC3)n1)ncn2CCN1CCCC1.
What is the InChIKey of 5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is RJPJKIFVLVEHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-9-23(8-1)10-11-24-13-20-16-12-15(6-7-17(16)24)18-21-19(25-22-18)14-4-3-5-14/h6-7,12-14H,1-5,8-11H2.
What are the key properties of 5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 337.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53041039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).