2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole

C18H16N4O2 — CID 18142030

IUPAC2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(Cn3c(C)nc4ccccc43)o2)cc1
InChIInChI=1S/C18H16N4O2/c1-12-19-15-5-3-4-6-16(15)22(12)11-17-20-21-18(24-17)13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3
InChIKeyZOQZIQCJDJWIKU-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.45
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 18142030) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID18142030
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(Cn3c(C)nc4ccccc43)o2)cc1
InChIInChI=1S/C18H16N4O2/c1-12-19-15-5-3-4-6-16(15)22(12)11-17-20-21-18(24-17)13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3
InChIKeyZOQZIQCJDJWIKU-UHFFFAOYSA-N
XLogP3.45
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-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-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole (CID 18142030) is 2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(Cn3c(C)nc4ccccc43)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is ZOQZIQCJDJWIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-19-15-5-3-4-6-16(15)22(12)11-17-20-21-18(24-17)13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 320.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 18142030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).