(2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine

C20H20F3N3O — CID 178059966

IUPAC(2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCn1cnc2ccc([C@@H]3CN(Cc4cccc(C(F)(F)F)c4)CCO3)cc21
InChIInChI=1S/C20H20F3N3O/c1-25-13-24-17-6-5-15(10-18(17)25)19-12-26(7-8-27-19)11-14-3-2-4-16(9-14)20(21,22)23/h2-6,9-10,13,19H,7-8,11-12H2,1H3/t19-/m0/s1
InChIKeyHJHUIXXEYDGDEN-IBGZPJMESA-N
MW375.39 g/mol
LogP4.17
Rot. Bonds3

About (2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine

(2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 178059966) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is (2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID178059966
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC Name(2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCn1cnc2ccc([C@@H]3CN(Cc4cccc(C(F)(F)F)c4)CCO3)cc21
InChIInChI=1S/C20H20F3N3O/c1-25-13-24-17-6-5-15(10-18(17)25)19-12-26(7-8-27-19)11-14-3-2-4-16(9-14)20(21,22)23/h2-6,9-10,13,19H,7-8,11-12H2,1H3/t19-/m0/s1
InChIKeyHJHUIXXEYDGDEN-IBGZPJMESA-N
XLogP4.17
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(3-methylbenzimidazol-5-yl)morpholine
CID 178060033
2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine
CID 178059884
4-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]-2-(3-methylbenzimidazol-5-yl)morpholine
CID 178059903
2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine
CID 178060063
4-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3-methylbenzimidazol-5-yl)morpholine;4-[(4-ethoxy-3,5-difluorophenyl)methyl]-2-(3-methylbenzimidazol-5-yl)morpholine
CID 178060043
(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-[(2R)-2-(3-methylbenzimidazol-5-yl)morpholin-4-yl]ethanol
CID 178059922
4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine
CID 66653794
(2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine
CID 124993881
3-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 51001912
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543
N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine
CID 124988807
[3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752296

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of (2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine (CID 178059966) is (2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for (2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for (2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine is Cn1cnc2ccc([C@@H]3CN(Cc4cccc(C(F)(F)F)c4)CCO3)cc21.
What is the InChIKey of (2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is HJHUIXXEYDGDEN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20F3N3O/c1-25-13-24-17-6-5-15(10-18(17)25)19-12-26(7-8-27-19)11-14-3-2-4-16(9-14)20(21,22)23/h2-6,9-10,13,19H,7-8,11-12H2,1H3/t19-/m0/s1.
What are the key properties of (2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
(2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 375.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 178059966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).