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

C13H18N4O — CID 146512222

IUPAC2-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1nc2c([nH]1)CC(CCc1nnc(C)o1)CC2
InChIInChI=1S/C13H18N4O/c1-8-14-11-5-3-10(7-12(11)15-8)4-6-13-17-16-9(2)18-13/h10H,3-7H2,1-2H3,(H,14,15)
InChIKeyGUQFJJRSTVUULN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.15
Rot. Bonds3

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

2-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 146512222) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)ethyl]-1,3,4-oxadiazole
PubChem CID146512222
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1nc2c([nH]1)CC(CCc1nnc(C)o1)CC2
InChIInChI=1S/C13H18N4O/c1-8-14-11-5-3-10(7-12(11)15-8)4-6-13-17-16-9(2)18-13/h10H,3-7H2,1-2H3,(H,14,15)
InChIKeyGUQFJJRSTVUULN-UHFFFAOYSA-N
XLogP2.15
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)ethyl]-1,3,4-oxadiazole (CID 146512222) is 2-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)ethyl]-1,3,4-oxadiazole is Cc1nc2c([nH]1)CC(CCc1nnc(C)o1)CC2.
What is the InChIKey of 2-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is GUQFJJRSTVUULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8-14-11-5-3-10(7-12(11)15-8)4-6-13-17-16-9(2)18-13/h10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)ethyl]-1,3,4-oxadiazole?
2-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 246.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 146512222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).