4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine

C10H9N5O — CID 95991204

IUPAC4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESCn1cnc2cc(-c3nonc3N)ccc21
InChIInChI=1S/C10H9N5O/c1-15-5-12-7-4-6(2-3-8(7)15)9-10(11)14-16-13-9/h2-5H,1H3,(H2,11,14)
InChIKeyVSLGURBJDMPULY-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.21
Rot. Bonds1

About 4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine

4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 95991204) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine
PubChem CID95991204
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESCn1cnc2cc(-c3nonc3N)ccc21
InChIInChI=1S/C10H9N5O/c1-15-5-12-7-4-6(2-3-8(7)15)9-10(11)14-16-13-9/h2-5H,1H3,(H2,11,14)
InChIKeyVSLGURBJDMPULY-UHFFFAOYSA-N
XLogP1.21
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-methylbenzimidazol-5-yl)-1,3-oxazol-2-amine
CID 116832297
[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330229
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde
CID 95996033
4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine
CID 62501533
4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 95993414
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731
2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 59474411
2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine
CID 84604064
3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 167771887
4-(1-methylbenzimidazol-5-yl)butan-2-amine
CID 82491785

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine (CID 95991204) is 4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine is Cn1cnc2cc(-c3nonc3N)ccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is VSLGURBJDMPULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-15-5-12-7-4-6(2-3-8(7)15)9-10(11)14-16-13-9/h2-5H,1H3,(H2,11,14).
What are the key properties of 4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine?
4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 215.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 95991204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).