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

C16H23N5O — CID 128970740

IUPAC2-methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCCC2c2nc3c(n2C)CCCC3)o1
InChIInChI=1S/C16H23N5O/c1-11-18-19-15(22-11)10-21-9-5-8-14(21)16-17-12-6-3-4-7-13(12)20(16)2/h14H,3-10H2,1-2H3
InChIKeyADVWPSKNYMEHQQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.33
Rot. Bonds3

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

2-methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 128970740) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID128970740
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCCC2c2nc3c(n2C)CCCC3)o1
InChIInChI=1S/C16H23N5O/c1-11-18-19-15(22-11)10-21-9-5-8-14(21)16-17-12-6-3-4-7-13(12)20(16)2/h14H,3-10H2,1-2H3
InChIKeyADVWPSKNYMEHQQ-UHFFFAOYSA-N
XLogP2.33
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (CID 128970740) is 2-methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1nnc(CN2CCCC2c2nc3c(n2C)CCCC3)o1.
What is the InChIKey of 2-methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is ADVWPSKNYMEHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-18-19-15(22-11)10-21-9-5-8-14(21)16-17-12-6-3-4-7-13(12)20(16)2/h14H,3-10H2,1-2H3.
What are the key properties of 2-methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 128970740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).