3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole

C18H23N5O — CID 139003246

IUPAC3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(N2CCCC2Cn2cnc3ccccc32)no1
InChIInChI=1S/C18H23N5O/c1-18(2,3)16-20-17(21-24-16)23-10-6-7-13(23)11-22-12-19-14-8-4-5-9-15(14)22/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3
InChIKeyMREUNLYLEGFAAP-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.39
Rot. Bonds3

About 3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole

3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole (PubChem CID 139003246) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole
PubChem CID139003246
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(N2CCCC2Cn2cnc3ccccc32)no1
InChIInChI=1S/C18H23N5O/c1-18(2,3)16-20-17(21-24-16)23-10-6-7-13(23)11-22-12-19-14-8-4-5-9-15(14)22/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3
InChIKeyMREUNLYLEGFAAP-UHFFFAOYSA-N
XLogP3.39
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone
CID 139007662
1-[2-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea
CID 138995721
2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide
CID 155951162
2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline
CID 100692414
2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine
CID 100692267
1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole
CID 15397533
3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
CID 126827644
5-[3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 71909231
2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine
CID 78848726
2-(benzimidazol-1-yl)-1-cyclopentylethanol
CID 113449219
1-(1,3-dioxolan-4-ylmethyl)benzimidazole
CID 58743711
2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 154842997

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole (CID 139003246) is 3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole is CC(C)(C)c1nc(N2CCCC2Cn2cnc3ccccc32)no1.
What is the InChIKey of 3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole?
The InChIKey is MREUNLYLEGFAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-18(2,3)16-20-17(21-24-16)23-10-6-7-13(23)11-22-12-19-14-8-4-5-9-15(14)22/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3.
What are the key properties of 3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole?
3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole has a molecular weight of 325.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole is sourced from PubChem (CID 139003246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).