(2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine

C15H17F2N3O — CID 124963019

IUPAC(2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCc1cnc([C@@H]2CN(Cc3cc(F)ccc3F)CCO2)[nH]1
InChIInChI=1S/C15H17F2N3O/c1-10-7-18-15(19-10)14-9-20(4-5-21-14)8-11-6-12(16)2-3-13(11)17/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyHNDUEFNIVXDWQC-AWEZNQCLSA-N
MW293.32 g/mol
LogP2.57
Rot. Bonds3

About (2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine

(2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine (PubChem CID 124963019) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is (2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine
PubChem CID124963019
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCc1cnc([C@@H]2CN(Cc3cc(F)ccc3F)CCO2)[nH]1
InChIInChI=1S/C15H17F2N3O/c1-10-7-18-15(19-10)14-9-20(4-5-21-14)8-11-6-12(16)2-3-13(11)17/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyHNDUEFNIVXDWQC-AWEZNQCLSA-N
XLogP2.57
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 125017640
2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 110104978
3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
CID 124969004
4-(1H-indol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 155983471
2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine
CID 110104945
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 124960812
(2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 124960811
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
CID 124987098
4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 110105191
(2S)-4-[(2-chloro-5-fluorophenyl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 99827008
2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 124949023
2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid
CID 171688308

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The IUPAC name of (2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine (CID 124963019) is (2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for (2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for (2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine is Cc1cnc([C@@H]2CN(Cc3cc(F)ccc3F)CCO2)[nH]1.
What is the InChIKey of (2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The InChIKey is HNDUEFNIVXDWQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-10-7-18-15(19-10)14-9-20(4-5-21-14)8-11-6-12(16)2-3-13(11)17/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine?
(2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine has a molecular weight of 293.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 124963019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).