(2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine

C17H16FN3O — CID 71656421

IUPAC(2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine
SMILESFc1ccc2nc(-c3ccc([C@@H]4CNCCO4)cc3)[nH]c2c1
InChIInChI=1S/C17H16FN3O/c18-13-5-6-14-15(9-13)21-17(20-14)12-3-1-11(2-4-12)16-10-19-7-8-22-16/h1-6,9,16,19H,7-8,10H2,(H,20,21)/t16-/m0/s1
InChIKeyIWGKKYQBHKHGKP-INIZCTEOSA-N
MW297.33 g/mol
LogP3.03
Rot. Bonds2

About (2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine

(2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine (PubChem CID 71656421) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is (2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine
PubChem CID71656421
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name(2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine
SMILESFc1ccc2nc(-c3ccc([C@@H]4CNCCO4)cc3)[nH]c2c1
InChIInChI=1S/C17H16FN3O/c18-13-5-6-14-15(9-13)21-17(20-14)12-3-1-11(2-4-12)16-10-19-7-8-22-16/h1-6,9,16,19H,7-8,10H2,(H,20,21)/t16-/m0/s1
InChIKeyIWGKKYQBHKHGKP-INIZCTEOSA-N
XLogP3.03
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine?
The IUPAC name of (2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine (CID 71656421) is (2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine.
What is the SMILES notation for (2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine?
The canonical SMILES for (2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine is Fc1ccc2nc(-c3ccc([C@@H]4CNCCO4)cc3)[nH]c2c1.
What is the InChIKey of (2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine?
The InChIKey is IWGKKYQBHKHGKP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-13-5-6-14-15(9-13)21-17(20-14)12-3-1-11(2-4-12)16-10-19-7-8-22-16/h1-6,9,16,19H,7-8,10H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine?
(2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine has a molecular weight of 297.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine is sourced from PubChem (CID 71656421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).