3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C17H23N5O — CID 129477485

IUPAC3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESC1CCc2[nH]c([C@H]3CCCN3Cc3nc(C4CC4)no3)nc2C1
InChIInChI=1S/C17H23N5O/c1-2-5-13-12(4-1)18-17(19-13)14-6-3-9-22(14)10-15-20-16(21-23-15)11-7-8-11/h11,14H,1-10H2,(H,18,19)/t14-/m1/s1
InChIKeyQGZATYIEEOTJIJ-CQSZACIVSA-N
MW313.41 g/mol
LogP2.89
Rot. Bonds4

About 3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 129477485) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID129477485
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESC1CCc2[nH]c([C@H]3CCCN3Cc3nc(C4CC4)no3)nc2C1
InChIInChI=1S/C17H23N5O/c1-2-5-13-12(4-1)18-17(19-13)14-6-3-9-22(14)10-15-20-16(21-23-15)11-7-8-11/h11,14H,1-10H2,(H,18,19)/t14-/m1/s1
InChIKeyQGZATYIEEOTJIJ-CQSZACIVSA-N
XLogP2.89
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyethyl)-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129344520
3-[(1S)-1-methoxyethyl]-5-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129473948
5-(methoxymethyl)-3-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128983425
2-ethyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 129477813
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128979700
3-cyclopentyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128981085
2-[(2S)-1-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129342670
2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129473203
4-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiadiazole
CID 128979973
2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129339719
2-[(2S)-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129338470
2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 129334464

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 129477485) is 3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is C1CCc2[nH]c([C@H]3CCCN3Cc3nc(C4CC4)no3)nc2C1.
What is the InChIKey of 3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is QGZATYIEEOTJIJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-5-13-12(4-1)18-17(19-13)14-6-3-9-22(14)10-15-20-16(21-23-15)11-7-8-11/h11,14H,1-10H2,(H,18,19)/t14-/m1/s1.
What are the key properties of 3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 313.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 129477485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).