(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).