2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole

C19H18N4O3 — CID 58433274

IUPAC2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole
SMILESCOc1cccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)c1OC
InChIInChI=1S/C19H18N4O3/c1-24-16-5-3-4-12(18(16)25-2)7-9-17-22-23-19(26-17)13-6-8-14-15(10-13)21-11-20-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,21)
InChIKeyHOETUZCVUFCUGK-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.42
Rot. Bonds6

About 2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole

2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole (PubChem CID 58433274) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole
PubChem CID58433274
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole
SMILESCOc1cccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)c1OC
InChIInChI=1S/C19H18N4O3/c1-24-16-5-3-4-12(18(16)25-2)7-9-17-22-23-19(26-17)13-6-8-14-15(10-13)21-11-20-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,21)
InChIKeyHOETUZCVUFCUGK-UHFFFAOYSA-N
XLogP3.42
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole (CID 58433274) is 2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole is COc1cccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)c1OC.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole?
The InChIKey is HOETUZCVUFCUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-24-16-5-3-4-12(18(16)25-2)7-9-17-22-23-19(26-17)13-6-8-14-15(10-13)21-11-20-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole?
2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole has a molecular weight of 350.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-[2-(2,3-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 58433274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).