5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol

C19H16N4O3 — CID 156522416

IUPAC5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol
SMILESOc1cc(-c2nnc(-c3ccc4nc[nH]c4c3)o2)ccc1OCC1CC1
InChIInChI=1S/C19H16N4O3/c24-16-8-13(4-6-17(16)25-9-11-1-2-11)19-23-22-18(26-19)12-3-5-14-15(7-12)21-10-20-14/h3-8,10-11,24H,1-2,9H2,(H,20,21)
InChIKeyRRGGTBZYNZZSHA-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.77
Rot. Bonds5

About 5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol

5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol (PubChem CID 156522416) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol.

Molecular Properties

Compound Name5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol
PubChem CID156522416
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol
SMILESOc1cc(-c2nnc(-c3ccc4nc[nH]c4c3)o2)ccc1OCC1CC1
InChIInChI=1S/C19H16N4O3/c24-16-8-13(4-6-17(16)25-9-11-1-2-11)19-23-22-18(26-19)12-3-5-14-15(7-12)21-10-20-14/h3-8,10-11,24H,1-2,9H2,(H,20,21)
InChIKeyRRGGTBZYNZZSHA-UHFFFAOYSA-N
XLogP3.77
TPSA97.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol?
The IUPAC name of 5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol (CID 156522416) is 5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol.
What is the SMILES notation for 5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol?
The canonical SMILES for 5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol is Oc1cc(-c2nnc(-c3ccc4nc[nH]c4c3)o2)ccc1OCC1CC1.
What is the InChIKey of 5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol?
The InChIKey is RRGGTBZYNZZSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-16-8-13(4-6-17(16)25-9-11-1-2-11)19-23-22-18(26-19)12-3-5-14-15(7-12)21-10-20-14/h3-8,10-11,24H,1-2,9H2,(H,20,21).
What are the key properties of 5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol?
5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol has a molecular weight of 348.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol is sourced from PubChem (CID 156522416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).