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

C17H15F2N3O — CID 71656420

IUPAC(2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine
SMILESFc1cc(F)c2nc(-c3ccc([C@H]4CNCCO4)cc3)[nH]c2c1
InChIInChI=1S/C17H15F2N3O/c18-12-7-13(19)16-14(8-12)21-17(22-16)11-3-1-10(2-4-11)15-9-20-5-6-23-15/h1-4,7-8,15,20H,5-6,9H2,(H,21,22)/t15-/m1/s1
InChIKeyUJQNAOGCMDNXED-OAHLLOKOSA-N
MW315.32 g/mol
LogP3.17
Rot. Bonds2

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

(2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine (PubChem CID 71656420) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is (2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine
PubChem CID71656420
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name(2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine
SMILESFc1cc(F)c2nc(-c3ccc([C@H]4CNCCO4)cc3)[nH]c2c1
InChIInChI=1S/C17H15F2N3O/c18-12-7-13(19)16-14(8-12)21-17(22-16)11-3-1-10(2-4-11)15-9-20-5-6-23-15/h1-4,7-8,15,20H,5-6,9H2,(H,21,22)/t15-/m1/s1
InChIKeyUJQNAOGCMDNXED-OAHLLOKOSA-N
XLogP3.17
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(alpha-Hydroxybenzyl)benzimidazole
CID 5792
4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine
CID 19964406
tert-butyl (3S,4S)-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-4-[(4-phenylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 72947373
6-fluoro-N-[(3S,4S)-4-[(4-propan-2-ylphenyl)methoxy]-1-propylsulfonylpyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 72947376
N-[(3S,4S)-1-(benzenesulfonyl)-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidin-3-yl]-6-fluoro-1H-benzimidazol-2-amine
CID 72947377
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
1-(2-Benzyloxy-ethyl)-2-(4-methyl-piperazin-1-yl)-1H-benzoimidazole
CID 13623356
benzyl 4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylate
CID 16109385
2-[1-[4-(1H-benzimidazol-2-yl)phenyl]propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44522773

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine?
The IUPAC name of (2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine (CID 71656420) is (2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine.
What is the SMILES notation for (2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine?
The canonical SMILES for (2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine is Fc1cc(F)c2nc(-c3ccc([C@H]4CNCCO4)cc3)[nH]c2c1.
What is the InChIKey of (2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine?
The InChIKey is UJQNAOGCMDNXED-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15F2N3O/c18-12-7-13(19)16-14(8-12)21-17(22-16)11-3-1-10(2-4-11)15-9-20-5-6-23-15/h1-4,7-8,15,20H,5-6,9H2,(H,21,22)/t15-/m1/s1.
What are the key properties of (2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine?
(2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine has a molecular weight of 315.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine is sourced from PubChem (CID 71656420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).