4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine

C12H14FN3O — CID 113280276

IUPAC4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine
SMILESNC1(c2nc3c(F)cccc3[nH]2)CCOCC1
InChIInChI=1S/C12H14FN3O/c13-8-2-1-3-9-10(8)16-11(15-9)12(14)4-6-17-7-5-12/h1-3H,4-7,14H2,(H,15,16)
InChIKeyOVVZWMVXLNPKOJ-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.67
Rot. Bonds1

About 4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine

4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine (PubChem CID 113280276) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine
PubChem CID113280276
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine
SMILESNC1(c2nc3c(F)cccc3[nH]2)CCOCC1
InChIInChI=1S/C12H14FN3O/c13-8-2-1-3-9-10(8)16-11(15-9)12(14)4-6-17-7-5-12/h1-3H,4-7,14H2,(H,15,16)
InChIKeyOVVZWMVXLNPKOJ-UHFFFAOYSA-N
XLogP1.67
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine?
The IUPAC name of 4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine (CID 113280276) is 4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine.
What is the SMILES notation for 4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine?
The canonical SMILES for 4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine is NC1(c2nc3c(F)cccc3[nH]2)CCOCC1.
What is the InChIKey of 4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine?
The InChIKey is OVVZWMVXLNPKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-8-2-1-3-9-10(8)16-11(15-9)12(14)4-6-17-7-5-12/h1-3H,4-7,14H2,(H,15,16).
What are the key properties of 4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine?
4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine has a molecular weight of 235.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine is sourced from PubChem (CID 113280276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).