[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine

C11H11N5O — CID 117330229

IUPAC[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCn1cnc2cc(-c3noc(CN)n3)ccc21
InChIInChI=1S/C11H11N5O/c1-16-6-13-8-4-7(2-3-9(8)16)11-14-10(5-12)17-15-11/h2-4,6H,5,12H2,1H3
InChIKeyLJJPTYVOFDEPRZ-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.08
Rot. Bonds2

About [3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117330229) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is [3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117330229
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCn1cnc2cc(-c3noc(CN)n3)ccc21
InChIInChI=1S/C11H11N5O/c1-16-6-13-8-4-7(2-3-9(8)16)11-14-10(5-12)17-15-11/h2-4,6H,5,12H2,1H3
InChIKeyLJJPTYVOFDEPRZ-UHFFFAOYSA-N
XLogP1.08
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731
5-[(3,4-diethoxyphenyl)methyl]-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030841
[3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359748
2-(4-chlorophenyl)-N-[[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 22586334
[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359747
[3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117411447
5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030827
5-[4-(benzylsulfonylmethyl)phenyl]-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030804
[3-(3-methyl-1,2-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117332233
[2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol
CID 116889071
5-(1-methylbenzimidazol-5-yl)-1,3-oxazol-2-amine
CID 116832297
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117330229) is [3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine is Cn1cnc2cc(-c3noc(CN)n3)ccc21.
What is the InChIKey of [3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is LJJPTYVOFDEPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-16-6-13-8-4-7(2-3-9(8)16)11-14-10(5-12)17-15-11/h2-4,6H,5,12H2,1H3.
What are the key properties of [3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 229.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117330229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).