(2S)-2-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine

C17H16FN3O — CID 71656896

IUPAC(2S)-2-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine
SMILESFc1ccc(-c2nc3ccc([C@H]4CNCCO4)cc3[nH]2)cc1
InChIInChI=1S/C17H16FN3O/c18-13-4-1-11(2-5-13)17-20-14-6-3-12(9-15(14)21-17)16-10-19-7-8-22-16/h1-6,9,16,19H,7-8,10H2,(H,20,21)/t16-/m1/s1
InChIKeyNSMAAHVCAZBRGJ-MRXNPFEDSA-N
MW297.33 g/mol
LogP3.03
Rot. Bonds2

About (2S)-2-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine

(2S)-2-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine (PubChem CID 71656896) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is (2S)-2-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine
PubChem CID71656896
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name(2S)-2-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine
SMILESFc1ccc(-c2nc3ccc([C@H]4CNCCO4)cc3[nH]2)cc1
InChIInChI=1S/C17H16FN3O/c18-13-4-1-11(2-5-13)17-20-14-6-3-12(9-15(14)21-17)16-10-19-7-8-22-16/h1-6,9,16,19H,7-8,10H2,(H,20,21)/t16-/m1/s1
InChIKeyNSMAAHVCAZBRGJ-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

2-(Trifluoromethyl)-8-(benzylaminomethyl)-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole
CID 9820313
4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine
CID 19964406
2-{3-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-propyl}-1H-benzoimidazole
CID 10647394
2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 10812367
2-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-ylmethyl)-1H-benzoimidazole
CID 10837761
2-[3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-propyl]-1H-benzoimidazole
CID 11799260
benzyl 4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylate
CID 16109385
(2R)-4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine
CID 60149678
6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
CID 71769386
6-[[4-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methyl]-1H-benzimidazole
CID 168279082
4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine
CID 17325485
1-(3H-benzimidazol-5-yl)-2-(propan-2-ylamino)ethanol
CID 20340041

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine?
The IUPAC name of (2S)-2-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine (CID 71656896) is (2S)-2-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine.
What is the SMILES notation for (2S)-2-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine?
The canonical SMILES for (2S)-2-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine is Fc1ccc(-c2nc3ccc([C@H]4CNCCO4)cc3[nH]2)cc1.
What is the InChIKey of (2S)-2-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine?
The InChIKey is NSMAAHVCAZBRGJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-13-4-1-11(2-5-13)17-20-14-6-3-12(9-15(14)21-17)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-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine?
(2S)-2-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]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-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]morpholine is sourced from PubChem (CID 71656896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).