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

C11H11N5O — CID 599038

IUPAC4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C11H11N5O/c1-2-16-8-6-4-3-5-7(8)13-11(16)9-10(12)15-17-14-9/h3-6H,2H2,1H3,(H2,12,15)
InChIKeyHCRQPXYLXXLKPT-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.69
Rot. Bonds2

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

4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 599038) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID599038
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C11H11N5O/c1-2-16-8-6-4-3-5-7(8)13-11(16)9-10(12)15-17-14-9/h3-6H,2H2,1H3,(H2,12,15)
InChIKeyHCRQPXYLXXLKPT-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
2-Amino-1-methylbenzimidazole
CID 74187
Benzimidazole-2-carboxaldehyde, 1-methyl-, oxime
CID 135531459
3-(1H-1,3-benzodiazol-1-yl)propan-1-amine
CID 3920849
4-[1-(Cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 607858
1,2-Dimethylbenzimidazole
CID 312693
4-(1-Methyl-1H-benzoimidazol-2-yl)-furazan-3-ylamine
CID 753058
1H-Benzimidazolium, 1,2,3-trimethyl-, iodide (1:1)
CID 199168
1-Methyl-2-nitro-1H-benzimidazole
CID 145807
1-Ethyl-2-methylbenzimidazole
CID 22054
1-propyl-1H-1,3-benzodiazol-2-amine
CID 799602
4-(1-methyl-1H-imidazo(4,5-c)pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 11680113

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 599038) is 4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2ccccc21.
What is the InChIKey of 4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is HCRQPXYLXXLKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-2-16-8-6-4-3-5-7(8)13-11(16)9-10(12)15-17-14-9/h3-6H,2H2,1H3,(H2,12,15).
What are the key properties of 4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 229.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 599038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).