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

C15H21N5O — CID 128983562

IUPAC2-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCCC2c2nc3c([nH]2)CCCC3)o1
InChIInChI=1S/C15H21N5O/c1-10-18-19-14(21-10)9-20-8-4-7-13(20)15-16-11-5-2-3-6-12(11)17-15/h13H,2-9H2,1H3,(H,16,17)
InChIKeyBERHXWJDOFZIFO-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.32
Rot. Bonds3

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

2-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 128983562) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID128983562
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCCC2c2nc3c([nH]2)CCCC3)o1
InChIInChI=1S/C15H21N5O/c1-10-18-19-14(21-10)9-20-8-4-7-13(20)15-16-11-5-2-3-6-12(11)17-15/h13H,2-9H2,1H3,(H,16,17)
InChIKeyBERHXWJDOFZIFO-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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Related Compounds

2-Methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole
CID 115773530
2-Ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole
CID 115773517
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-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 120425005
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
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
3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128981486
N-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 128983417
3-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128983536
N-(2-ethoxyethyl)-2-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 129337117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (CID 128983562) is 2-methyl-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-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1nnc(CN2CCCC2c2nc3c([nH]2)CCCC3)o1.
What is the InChIKey of 2-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is BERHXWJDOFZIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-18-19-14(21-10)9-20-8-4-7-13(20)15-16-11-5-2-3-6-12(11)17-15/h13H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-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 2-methyl-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 128983562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).