2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile

C16H10N6O — CID 10171783

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile
SMILESN#Cc1ccccc1-n1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C16H10N6O/c17-9-10-5-1-3-7-12(10)22-13-8-4-2-6-11(13)19-16(22)14-15(18)21-23-20-14/h1-8H,(H2,18,21)
InChIKeySJKMNGCMFFYLLG-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.53
Rot. Bonds2

About 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile (PubChem CID 10171783) has the molecular formula C16H10N6O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile
PubChem CID10171783
Molecular FormulaC16H10N6O
Molecular Weight302.30 g/mol
Exact Mass302.09
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile
SMILESN#Cc1ccccc1-n1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C16H10N6O/c17-9-10-5-1-3-7-12(10)22-13-8-4-2-6-11(13)19-16(22)14-15(18)21-23-20-14/h1-8H,(H2,18,21)
InChIKeySJKMNGCMFFYLLG-UHFFFAOYSA-N
XLogP2.53
TPSA106.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile (CID 10171783) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile is N#Cc1ccccc1-n1c(-c2nonc2N)nc2ccccc21.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile?
The InChIKey is SJKMNGCMFFYLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6O/c17-9-10-5-1-3-7-12(10)22-13-8-4-2-6-11(13)19-16(22)14-15(18)21-23-20-14/h1-8H,(H2,18,21).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile has a molecular weight of 302.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]benzonitrile is sourced from PubChem (CID 10171783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).