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

C17H16FN3O — CID 71656321

IUPAC(2S)-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-/m1/s1
InChIKeyIWGKKYQBHKHGKP-MRXNPFEDSA-N
MW297.33 g/mol
LogP3.03
Rot. Bonds2

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

(2S)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine (PubChem CID 71656321) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is (2S)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine
PubChem CID71656321
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name(2S)-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-/m1/s1
InChIKeyIWGKKYQBHKHGKP-MRXNPFEDSA-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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Related Compounds

4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole
CID 112730258
(2R,3S)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylmorpholine-3-carboxamide
CID 120939468
(2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine
CID 71656716
(2R,3S)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939467
2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136837301
2-(2,3-dihydro-1H-indol-5-yl)-6-fluoro-1H-benzimidazole
CID 60785781
(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359
6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922110
2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 113227780
2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine
CID 116901764
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride
CID 119854445

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine?
The IUPAC name of (2S)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine (CID 71656321) is (2S)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine.
What is the SMILES notation for (2S)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine?
The canonical SMILES for (2S)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine is Fc1ccc2nc(-c3ccc([C@H]4CNCCO4)cc3)[nH]c2c1.
What is the InChIKey of (2S)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine?
The InChIKey is IWGKKYQBHKHGKP-MRXNPFEDSA-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-/m1/s1.
What are the key properties of (2S)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine?
(2S)-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 (2S)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine is sourced from PubChem (CID 71656321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).