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

C11H11N5O — CID 114218088

IUPAC[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(Cn2cnc3ccccc32)no1
InChIInChI=1S/C11H11N5O/c12-5-11-14-10(15-17-11)6-16-7-13-8-3-1-2-4-9(8)16/h1-4,7H,5-6,12H2
InChIKeyZTSNGOBJDVVDKP-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.93
Rot. Bonds3

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

[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 114218088) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is [3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID114218088
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(Cn2cnc3ccccc32)no1
InChIInChI=1S/C11H11N5O/c12-5-11-14-10(15-17-11)6-16-7-13-8-3-1-2-4-9(8)16/h1-4,7H,5-6,12H2
InChIKeyZTSNGOBJDVVDKP-UHFFFAOYSA-N
XLogP0.93
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,1-dioxothian-4-yl]methanamine
CID 167851497
3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole
CID 139004051
[3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 130485451
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one
CID 114218084
[3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 121210241
3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole
CID 100675712
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 114218090
3-(benzimidazol-1-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 139002569
5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 56871077
[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752482
1-[5-[2-(benzimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852984
[3-[(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752190

Frequently Asked Questions

What is the IUPAC name of [3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 114218088) is [3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(Cn2cnc3ccccc32)no1.
What is the InChIKey of [3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is ZTSNGOBJDVVDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-5-11-14-10(15-17-11)6-16-7-13-8-3-1-2-4-9(8)16/h1-4,7H,5-6,12H2.
What are the key properties of [3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 229.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 114218088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).