5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine

C10H10FN3O — CID 170911669

IUPAC5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1C1COC1
InChIInChI=1S/C10H10FN3O/c11-6-1-2-9-8(3-6)13-10(12)14(9)7-4-15-5-7/h1-3,7H,4-5H2,(H2,12,13)
InChIKeyCDHRPFSPBOFVMZ-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.33
Rot. Bonds1

About 5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine

5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine (PubChem CID 170911669) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine
PubChem CID170911669
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1C1COC1
InChIInChI=1S/C10H10FN3O/c11-6-1-2-9-8(3-6)13-10(12)14(9)7-4-15-5-7/h1-3,7H,4-5H2,(H2,12,13)
InChIKeyCDHRPFSPBOFVMZ-UHFFFAOYSA-N
XLogP1.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine (CID 170911669) is 5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine is Nc1nc2cc(F)ccc2n1C1COC1.
What is the InChIKey of 5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine?
The InChIKey is CDHRPFSPBOFVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-6-1-2-9-8(3-6)13-10(12)14(9)7-4-15-5-7/h1-3,7H,4-5H2,(H2,12,13).
What are the key properties of 5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine?
5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine has a molecular weight of 207.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 170911669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).