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

C15H21N5O — CID 128983536

IUPAC3-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1noc(CN2CCCC2c2nc3c([nH]2)CCCC3)n1
InChIInChI=1S/C15H21N5O/c1-10-16-14(21-19-10)9-20-8-4-7-13(20)15-17-11-5-2-3-6-12(11)18-15/h13H,2-9H2,1H3,(H,17,18)
InChIKeyUZPVQIJUJKUKIW-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.32
Rot. Bonds3

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

3-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 128983536) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID128983536
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1noc(CN2CCCC2c2nc3c([nH]2)CCCC3)n1
InChIInChI=1S/C15H21N5O/c1-10-16-14(21-19-10)9-20-8-4-7-13(20)15-17-11-5-2-3-6-12(11)18-15/h13H,2-9H2,1H3,(H,17,18)
InChIKeyUZPVQIJUJKUKIW-UHFFFAOYSA-N
XLogP2.32
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 128983536) is 3-methyl-5-[[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-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1noc(CN2CCCC2c2nc3c([nH]2)CCCC3)n1.
What is the InChIKey of 3-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is UZPVQIJUJKUKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-16-14(21-19-10)9-20-8-4-7-13(20)15-17-11-5-2-3-6-12(11)18-15/h13H,2-9H2,1H3,(H,17,18).
What are the key properties of 3-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 287.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 128983536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).