(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

C15H15F2N3O2 — CID 110105429

IUPAC(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCc1cnc(C2COCCN2C(=O)c2cc(F)cc(F)c2)[nH]1
InChIInChI=1S/C15H15F2N3O2/c1-9-7-18-14(19-9)13-8-22-3-2-20(13)15(21)10-4-11(16)6-12(17)5-10/h4-7,13H,2-3,8H2,1H3,(H,18,19)
InChIKeyDQCPRIHVYAJGSU-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.21
Rot. Bonds2

About (3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (PubChem CID 110105429) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
PubChem CID110105429
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCc1cnc(C2COCCN2C(=O)c2cc(F)cc(F)c2)[nH]1
InChIInChI=1S/C15H15F2N3O2/c1-9-7-18-14(19-9)13-8-22-3-2-20(13)15(21)10-4-11(16)6-12(17)5-10/h4-7,13H,2-3,8H2,1H3,(H,18,19)
InChIKeyDQCPRIHVYAJGSU-UHFFFAOYSA-N
XLogP2.21
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105506
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 110105457
(2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124959074
(2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105547
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 124996414
6-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 125005017
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105469
3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 124998854
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124993027
(3-cyclohexyl-1,2-oxazol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 125012998

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (CID 110105429) is (3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is Cc1cnc(C2COCCN2C(=O)c2cc(F)cc(F)c2)[nH]1.
What is the InChIKey of (3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is DQCPRIHVYAJGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-9-7-18-14(19-9)13-8-22-3-2-20(13)15(21)10-4-11(16)6-12(17)5-10/h4-7,13H,2-3,8H2,1H3,(H,18,19).
What are the key properties of (3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 307.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 110105429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).