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

C18H27N5O — CID 128981010

IUPAC2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCCC2c2nc3c(n2C)CCCC3)o1
InChIInChI=1S/C18H27N5O/c1-12(2)18-21-20-16(24-18)11-23-10-6-9-15(23)17-19-13-7-4-5-8-14(13)22(17)3/h12,15H,4-11H2,1-3H3
InChIKeyXWADYQXKSOLJLC-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.14
Rot. Bonds4

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

2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 128981010) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID128981010
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCCC2c2nc3c(n2C)CCCC3)o1
InChIInChI=1S/C18H27N5O/c1-12(2)18-21-20-16(24-18)11-23-10-6-9-15(23)17-19-13-7-4-5-8-14(13)22(17)3/h12,15H,4-11H2,1-3H3
InChIKeyXWADYQXKSOLJLC-UHFFFAOYSA-N
XLogP3.14
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 128981010) is 2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(CN2CCCC2c2nc3c(n2C)CCCC3)o1.
What is the InChIKey of 2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is XWADYQXKSOLJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-12(2)18-21-20-16(24-18)11-23-10-6-9-15(23)17-19-13-7-4-5-8-14(13)22(17)3/h12,15H,4-11H2,1-3H3.
What are the key properties of 2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 329.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 128981010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).