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

C18H25N3O — CID 56775913

IUPAC(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
SMILESCC(C)(C)CN1CCOC[C@H]1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H25N3O/c1-18(2,3)13-21-9-10-22-12-16(21)17-19-11-15(20-17)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12-13H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyWEBJYCYEUCOWTA-INIZCTEOSA-N
MW299.42 g/mol
LogP3.50
Rot. Bonds3

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

(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine (PubChem CID 56775913) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
PubChem CID56775913
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
SMILESCC(C)(C)CN1CCOC[C@H]1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H25N3O/c1-18(2,3)13-21-9-10-22-12-16(21)17-19-11-15(20-17)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12-13H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyWEBJYCYEUCOWTA-INIZCTEOSA-N
XLogP3.50
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine
CID 75367151
(3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 71694177
4-(cyclopropylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine
CID 78151247
4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 78151212
2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
CID 78151252
4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
CID 56776019
(3R)-4-[(2-fluorophenyl)methyl]-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 71694185
4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151142
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
CID 162916385
(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine
CID 71694104
4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 78151185

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine?
The IUPAC name of (3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine (CID 56775913) is (3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for (3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for (3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine is CC(C)(C)CN1CCOC[C@H]1c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of (3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine?
The InChIKey is WEBJYCYEUCOWTA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O/c1-18(2,3)13-21-9-10-22-12-16(21)17-19-11-15(20-17)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12-13H2,1-3H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine?
(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine has a molecular weight of 299.42 g/mol, XLogP of 3.50, 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-phenyl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 56775913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).