4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

C13H9N5O — CID 136934863

IUPAC4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2cc3ccccc3cc2[nH]1
InChIInChI=1S/C13H9N5O/c14-12-11(17-19-18-12)13-15-9-5-7-3-1-2-4-8(7)6-10(9)16-13/h1-6H,(H2,14,18)(H,15,16)
InChIKeyBQWHYOZURVCWAC-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.35
Rot. Bonds1

About 4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 136934863) has the molecular formula C13H9N5O and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID136934863
Molecular FormulaC13H9N5O
Molecular Weight251.25 g/mol
Exact Mass251.08
IUPAC Name4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2cc3ccccc3cc2[nH]1
InChIInChI=1S/C13H9N5O/c14-12-11(17-19-18-12)13-15-9-5-7-3-1-2-4-8(7)6-10(9)16-13/h1-6H,(H2,14,18)(H,15,16)
InChIKeyBQWHYOZURVCWAC-UHFFFAOYSA-N
XLogP2.35
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Bendazol
CID 12132
Bis(5-amidino-2-benzimidazolyl)methane
CID 2387
Chitinase
CID 50921533
4-(1H-1,3-benzodiazol-2-yl)aniline
CID 345677
Hemi-Babim
CID 1282
6-Nitro-2-(phenylmethyl)-1H-benzimidazole
CID 23578
2-(2-Methylphenyl)-1H-benzimidazole
CID 200946
3-(1H-1,3-benzodiazol-2-yl)aniline
CID 348695
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
2-(4'-Amidinobiphenyl-4-YL)-1H-benzimidazole-5-amidine
CID 5327049
2'-Methyl-1H,1'H-[2,5']bibenzoimidazolyl-5-ylamine
CID 846186
2-(2-phenylethyl)-1H-benzimidazole
CID 291053

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 136934863) is 4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2cc3ccccc3cc2[nH]1.
What is the InChIKey of 4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is BQWHYOZURVCWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O/c14-12-11(17-19-18-12)13-15-9-5-7-3-1-2-4-8(7)6-10(9)16-13/h1-6H,(H2,14,18)(H,15,16).
What are the key properties of 4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 251.25 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 136934863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).