(3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine

C17H19F2N3O — CID 71694155

IUPAC(3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine
SMILESFc1ccc(-c2cnc([C@@H]3COCCN3CC3CC3)[nH]2)c(F)c1
InChIInChI=1S/C17H19F2N3O/c18-12-3-4-13(14(19)7-12)15-8-20-17(21-15)16-10-23-6-5-22(16)9-11-1-2-11/h3-4,7-8,11,16H,1-2,5-6,9-10H2,(H,20,21)/t16-/m0/s1
InChIKeyBSLBWHORGOTWNT-INIZCTEOSA-N
MW319.36 g/mol
LogP3.14
Rot. Bonds4

About (3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine

(3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine (PubChem CID 71694155) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is (3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine
PubChem CID71694155
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine
SMILESFc1ccc(-c2cnc([C@@H]3COCCN3CC3CC3)[nH]2)c(F)c1
InChIInChI=1S/C17H19F2N3O/c18-12-3-4-13(14(19)7-12)15-8-20-17(21-15)16-10-23-6-5-22(16)9-11-1-2-11/h3-4,7-8,11,16H,1-2,5-6,9-10H2,(H,20,21)/t16-/m0/s1
InChIKeyBSLBWHORGOTWNT-INIZCTEOSA-N
XLogP3.14
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
CID 78151161
3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-(pyridin-3-ylmethyl)morpholine
CID 78151159
(3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine
CID 71694160
(3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 71694177
3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine
CID 78151125
4-(cyclopropylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine
CID 78151247
4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride
CID 90169798
4-[[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]methyl]piperidine
CID 119932633
2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine
CID 116881036
(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
CID 56775913
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
CID 162916385
(3R)-4-[(2-fluorophenyl)methyl]-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 71694185

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine?
The IUPAC name of (3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine (CID 71694155) is (3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for (3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine?
The canonical SMILES for (3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine is Fc1ccc(-c2cnc([C@@H]3COCCN3CC3CC3)[nH]2)c(F)c1.
What is the InChIKey of (3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine?
The InChIKey is BSLBWHORGOTWNT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19F2N3O/c18-12-3-4-13(14(19)7-12)15-8-20-17(21-15)16-10-23-6-5-22(16)9-11-1-2-11/h3-4,7-8,11,16H,1-2,5-6,9-10H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine?
(3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine has a molecular weight of 319.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 71694155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).