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

C12H16N4O — CID 146512192

IUPAC2-methyl-5-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nc2c([nH]1)CC(Cc1nnc(C)o1)CC2
InChIInChI=1S/C12H16N4O/c1-7-13-10-4-3-9(5-11(10)14-7)6-12-16-15-8(2)17-12/h9H,3-6H2,1-2H3,(H,13,14)
InChIKeyKSKPTOVUDLAWBJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.76
Rot. Bonds2

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

2-methyl-5-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1,3,4-oxadiazole (PubChem CID 146512192) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1,3,4-oxadiazole
PubChem CID146512192
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-methyl-5-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nc2c([nH]1)CC(Cc1nnc(C)o1)CC2
InChIInChI=1S/C12H16N4O/c1-7-13-10-4-3-9(5-11(10)14-7)6-12-16-15-8(2)17-12/h9H,3-6H2,1-2H3,(H,13,14)
InChIKeyKSKPTOVUDLAWBJ-UHFFFAOYSA-N
XLogP1.76
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1,3,4-oxadiazole (CID 146512192) is 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1,3,4-oxadiazole is Cc1nc2c([nH]1)CC(Cc1nnc(C)o1)CC2.
What is the InChIKey of 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is KSKPTOVUDLAWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7-13-10-4-3-9(5-11(10)14-7)6-12-16-15-8(2)17-12/h9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1,3,4-oxadiazole?
2-methyl-5-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 232.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 146512192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).