4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine

C20H22FN3O — CID 96571422

IUPAC4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
SMILESC[C@@H](c1nc2ccccc2n1Cc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C20H22FN3O/c1-15(23-10-12-25-13-11-23)20-22-18-4-2-3-5-19(18)24(20)14-16-6-8-17(21)9-7-16/h2-9,15H,10-14H2,1H3/t15-/m0/s1
InChIKeyBOUPVKLMBUYJAD-HNNXBMFYSA-N
MW339.41 g/mol
LogP3.62
Rot. Bonds4

About 4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine

4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine (PubChem CID 96571422) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
PubChem CID96571422
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
SMILESC[C@@H](c1nc2ccccc2n1Cc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C20H22FN3O/c1-15(23-10-12-25-13-11-23)20-22-18-4-2-3-5-19(18)24(20)14-16-6-8-17(21)9-7-16/h2-9,15H,10-14H2,1H3/t15-/m0/s1
InChIKeyBOUPVKLMBUYJAD-HNNXBMFYSA-N
XLogP3.62
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole
CID 18885276
4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885134
4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885131
4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571426
3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine
CID 82310821
4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885104
N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366525
1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole
CID 17428540
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 45269436
4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885118
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine
CID 72702181

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
The IUPAC name of 4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine (CID 96571422) is 4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine is C[C@@H](c1nc2ccccc2n1Cc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
The InChIKey is BOUPVKLMBUYJAD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-15(23-10-12-25-13-11-23)20-22-18-4-2-3-5-19(18)24(20)14-16-6-8-17(21)9-7-16/h2-9,15H,10-14H2,1H3/t15-/m0/s1.
What are the key properties of 4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine has a molecular weight of 339.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine is sourced from PubChem (CID 96571422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).