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

C17H25N5O — CID 128968217

IUPAC2-propan-2-yl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCCC2c2nc3c([nH]2)CCCC3)o1
InChIInChI=1S/C17H25N5O/c1-11(2)17-21-20-15(23-17)10-22-9-5-8-14(22)16-18-12-6-3-4-7-13(12)19-16/h11,14H,3-10H2,1-2H3,(H,18,19)
InChIKeyUUEVQZOTULEIRG-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.13
Rot. Bonds4

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

2-propan-2-yl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 128968217) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-propan-2-yl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID128968217
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-propan-2-yl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCCC2c2nc3c([nH]2)CCCC3)o1
InChIInChI=1S/C17H25N5O/c1-11(2)17-21-20-15(23-17)10-22-9-5-8-14(22)16-18-12-6-3-4-7-13(12)19-16/h11,14H,3-10H2,1-2H3,(H,18,19)
InChIKeyUUEVQZOTULEIRG-UHFFFAOYSA-N
XLogP3.13
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)-4,5,6,7-tetrahydro-1H-benzo[d]imidazole-5-carboxamide
CID 91628444
2-Tert-butyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole
CID 137971869
(5R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664233
(5S)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664245
2-Ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
CID 115773578
2-Methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
CID 115773591
2-Cyclopropyl-5-[[3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 120424973
2-Methyl-5-[3-[3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]propyl]-1,3,4-oxadiazole
CID 120425004
2-Cyclopropyl-5-[[3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 120425005
2-Methyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 128970740
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
2-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 128983562

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (CID 128968217) is 2-propan-2-yl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is CC(C)c1nnc(CN2CCCC2c2nc3c([nH]2)CCCC3)o1.
What is the InChIKey of 2-propan-2-yl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is UUEVQZOTULEIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11(2)17-21-20-15(23-17)10-22-9-5-8-14(22)16-18-12-6-3-4-7-13(12)19-16/h11,14H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-propan-2-yl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
2-propan-2-yl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 315.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 128968217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).