4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C20H15N5O — CID 830427

IUPAC4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C20H15N5O/c21-19-18(23-26-24-19)20-22-16-10-3-4-11-17(16)25(20)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H2,21,24)
InChIKeyNYXWDBXITLXZCG-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.87
Rot. Bonds3

About 4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 830427) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID830427
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C20H15N5O/c21-19-18(23-26-24-19)20-22-16-10-3-4-11-17(16)25(20)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H2,21,24)
InChIKeyNYXWDBXITLXZCG-UHFFFAOYSA-N
XLogP3.87
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 830427) is 4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2ccccc2n1Cc1cccc2ccccc12.
What is the InChIKey of 4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is NYXWDBXITLXZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c21-19-18(23-26-24-19)20-22-16-10-3-4-11-17(16)25(20)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H2,21,24).
What are the key properties of 4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 341.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 830427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).