6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine

C11H10FN5O — CID 114184467

IUPAC6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine
SMILESFc1ccc2nc(NCCc3ncno3)[nH]c2c1
InChIInChI=1S/C11H10FN5O/c12-7-1-2-8-9(5-7)17-11(16-8)13-4-3-10-14-6-15-18-10/h1-2,5-6H,3-4H2,(H2,13,16,17)
InChIKeyPVSNKIKAKNDRAZ-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.74
Rot. Bonds4

About 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine

6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 114184467) has the molecular formula C11H10FN5O and a molecular weight of 247.23 g/mol. Its IUPAC name is 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine
PubChem CID114184467
Molecular FormulaC11H10FN5O
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Name6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine
SMILESFc1ccc2nc(NCCc3ncno3)[nH]c2c1
InChIInChI=1S/C11H10FN5O/c12-7-1-2-8-9(5-7)17-11(16-8)13-4-3-10-14-6-15-18-10/h1-2,5-6H,3-4H2,(H2,13,16,17)
InChIKeyPVSNKIKAKNDRAZ-UHFFFAOYSA-N
XLogP1.74
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
6-fluoro-N-(2-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294739
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 82563510
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile
CID 82563411
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
CID 103294870
N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103294786
6-fluoro-N-(2-prop-2-enylsulfanylethyl)-1H-benzimidazol-2-amine
CID 106430091
N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 133410613

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine (CID 114184467) is 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine is Fc1ccc2nc(NCCc3ncno3)[nH]c2c1.
What is the InChIKey of 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is PVSNKIKAKNDRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O/c12-7-1-2-8-9(5-7)17-11(16-8)13-4-3-10-14-6-15-18-10/h1-2,5-6H,3-4H2,(H2,13,16,17).
What are the key properties of 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine?
6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 247.23 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 114184467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).