4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine

C21H25F2N3O3S — CID 5240750

IUPAC4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine
SMILESCCN1c2ccc(S(=O)(=O)N3CCOCC3)cc2N(Cc2c(F)cccc2F)C1C
InChIInChI=1S/C21H25F2N3O3S/c1-3-25-15(2)26(14-17-18(22)5-4-6-19(17)23)21-13-16(7-8-20(21)25)30(27,28)24-9-11-29-12-10-24/h4-8,13,15H,3,9-12,14H2,1-2H3
InChIKeyQMCVJJMKJZMBNX-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.18
Rot. Bonds5

About 4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine

4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine (PubChem CID 5240750) has the molecular formula C21H25F2N3O3S and a molecular weight of 437.51 g/mol. Its IUPAC name is 4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine
PubChem CID5240750
Molecular FormulaC21H25F2N3O3S
Molecular Weight437.51 g/mol
Exact Mass437.16
IUPAC Name4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine
SMILESCCN1c2ccc(S(=O)(=O)N3CCOCC3)cc2N(Cc2c(F)cccc2F)C1C
InChIInChI=1S/C21H25F2N3O3S/c1-3-25-15(2)26(14-17-18(22)5-4-6-19(17)23)21-13-16(7-8-20(21)25)30(27,28)24-9-11-29-12-10-24/h4-8,13,15H,3,9-12,14H2,1-2H3
InChIKeyQMCVJJMKJZMBNX-UHFFFAOYSA-N
XLogP3.18
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine with MolForge

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Related Compounds

4-[[4-[(2-chloro-6-fluorophenyl)methyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl]sulfonyl]morpholine
CID 4798136
4-[(1-ethylsulfonyl-2,3-dihydroindol-5-yl)sulfonyl]morpholine
CID 19258973
3-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylidene]-1-ethyl-5-morpholin-4-ylsulfonylindol-2-one
CID 4979784
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43910041
4-[3-[(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]sulfonylmorpholine
CID 167008516
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,6-difluorobenzamide
CID 26892844
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 30278785
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
N-cyclopentyl-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 134059774
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanamine
CID 28716694
4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758210

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine?
The IUPAC name of 4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine (CID 5240750) is 4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine?
The canonical SMILES for 4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine is CCN1c2ccc(S(=O)(=O)N3CCOCC3)cc2N(Cc2c(F)cccc2F)C1C.
What is the InChIKey of 4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine?
The InChIKey is QMCVJJMKJZMBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O3S/c1-3-25-15(2)26(14-17-18(22)5-4-6-19(17)23)21-13-16(7-8-20(21)25)30(27,28)24-9-11-29-12-10-24/h4-8,13,15H,3,9-12,14H2,1-2H3.
What are the key properties of 4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine?
4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine has a molecular weight of 437.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2,6-difluorophenyl)methyl]-1-ethyl-2-methyl-2H-benzimidazol-5-yl]sulfonyl]morpholine is sourced from PubChem (CID 5240750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).