5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine

C16H13N5O — CID 25024686

IUPAC5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(CNc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C16H13N5O/c1-2-4-11(5-3-1)9-17-16-21-20-15(22-16)12-6-7-13-14(8-12)19-10-18-13/h1-8,10H,9H2,(H,17,21)(H,18,19)
InChIKeyNQCVSGHINWXZTR-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.22
Rot. Bonds4

About 5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine

5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine (PubChem CID 25024686) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine
PubChem CID25024686
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(CNc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C16H13N5O/c1-2-4-11(5-3-1)9-17-16-21-20-15(22-16)12-6-7-13-14(8-12)19-10-18-13/h1-8,10H,9H2,(H,17,21)(H,18,19)
InChIKeyNQCVSGHINWXZTR-UHFFFAOYSA-N
XLogP3.22
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine (CID 25024686) is 5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine is c1ccc(CNc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine?
The InChIKey is NQCVSGHINWXZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-2-4-11(5-3-1)9-17-16-21-20-15(22-16)12-6-7-13-14(8-12)19-10-18-13/h1-8,10H,9H2,(H,17,21)(H,18,19).
What are the key properties of 5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine?
5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine has a molecular weight of 291.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25024686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).