(3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine

C19H24F3N3O — CID 56775888

IUPAC(3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine
SMILESCC(C)(C)CN1CCOC[C@H]1c1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C19H24F3N3O/c1-18(2,3)12-25-8-9-26-11-16(25)17-23-10-15(24-17)13-4-6-14(7-5-13)19(20,21)22/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyYERRXHHERJHNGX-INIZCTEOSA-N
MW367.42 g/mol
LogP4.51
Rot. Bonds3

About (3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine

(3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine (PubChem CID 56775888) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is (3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine
PubChem CID56775888
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name(3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine
SMILESCC(C)(C)CN1CCOC[C@H]1c1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C19H24F3N3O/c1-18(2,3)12-25-8-9-26-11-16(25)17-23-10-15(24-17)13-4-6-14(7-5-13)19(20,21)22/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyYERRXHHERJHNGX-INIZCTEOSA-N
XLogP4.51
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine?
The IUPAC name of (3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine (CID 56775888) is (3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for (3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine?
The canonical SMILES for (3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine is CC(C)(C)CN1CCOC[C@H]1c1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of (3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine?
The InChIKey is YERRXHHERJHNGX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-18(2,3)12-25-8-9-26-11-16(25)17-23-10-15(24-17)13-4-6-14(7-5-13)19(20,21)22/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,23,24)/t16-/m0/s1.
What are the key properties of (3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine?
(3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine has a molecular weight of 367.42 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 56775888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).