(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine

C16H20ClN3O — CID 56775856

IUPAC(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C16H20ClN3O/c1-11(2)20-7-8-21-10-15(20)16-18-9-14(19-16)12-3-5-13(17)6-4-12/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyDAGNLNBQQFDQJB-HNNXBMFYSA-N
MW305.81 g/mol
LogP3.51
Rot. Bonds3

About (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine

(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine (PubChem CID 56775856) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine
PubChem CID56775856
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C16H20ClN3O/c1-11(2)20-7-8-21-10-15(20)16-18-9-14(19-16)12-3-5-13(17)6-4-12/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyDAGNLNBQQFDQJB-HNNXBMFYSA-N
XLogP3.51
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-4-propan-2-yl-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 71694197
(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine
CID 56775858
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine
CID 78151272
(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine
CID 71694104
4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 78151212
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
CID 56775913
(4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 31073934
(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide
CID 56776061
4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151147
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
CID 162916385
tert-butyl (3R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]morpholine-4-carboxylate
CID 59450054

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine?
The IUPAC name of (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine (CID 56775856) is (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine.
What is the SMILES notation for (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine?
The canonical SMILES for (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine is CC(C)N1CCOC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine?
The InChIKey is DAGNLNBQQFDQJB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11(2)20-7-8-21-10-15(20)16-18-9-14(19-16)12-3-5-13(17)6-4-12/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine?
(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine has a molecular weight of 305.81 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 56775856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).