3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

C23H24F2N4O5S — CID 126688620

IUPAC3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESCS(=O)(=O)CCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21
InChIInChI=1S/C23H24F2N4O5S/c1-35(32,33)11-3-8-29-19-7-6-17(28-9-10-34-14-20(28)30)13-18(19)26-23(29)27-22(31)16-5-2-4-15(12-16)21(24)25/h2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31)
InChIKeyNOKIQZPETVINBF-UHFFFAOYSA-N
MW506.53 g/mol
LogP3.02
Rot. Bonds8

About 3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (PubChem CID 126688620) has the molecular formula C23H24F2N4O5S and a molecular weight of 506.53 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
PubChem CID126688620
Molecular FormulaC23H24F2N4O5S
Molecular Weight506.53 g/mol
Exact Mass506.14
IUPAC Name3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESCS(=O)(=O)CCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21
InChIInChI=1S/C23H24F2N4O5S/c1-35(32,33)11-3-8-29-19-7-6-17(28-9-10-34-14-20(28)30)13-18(19)26-23(29)27-22(31)16-5-2-4-15(12-16)21(24)25/h2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31)
InChIKeyNOKIQZPETVINBF-UHFFFAOYSA-N
XLogP3.02
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-N-[1-methyl-2-(4-morpholinylmethyl)-1H-benzimidazol-5-yl]benzamide
CID 1251870
N-(1-ethylbenzimidazol-2-yl)-3-(methylsulfonylmethyl)benzamide
CID 41595521
N-[7-[(4-acetyl-1-piperazinyl)carbonyl]-1-(4-fluorobenzyl)-1H-benzimidazol-5-yl]-2-methoxyacetamide
CID 42170850
N-[7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-2-phenylbenzimidazol-5-yl]ethanesulfonamide
CID 27862628
2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide
CID 42326068
N-[[(4S)-8-acetamido-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide
CID 75410894
4-fluoro-N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl]benzamide
CID 3159100
4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
CID 4859341
4-{5-[(3-Fluorophenyl)methanesulfonamido]-1-methyl-1H-1,3-benzodiazol-2-YL}-N-(propan-2-YL)benzamide
CID 50825232
4-{5-[(2-Fluorophenyl)methanesulfonamido]-1-methyl-1H-1,3-benzodiazol-2-YL}-N-(propan-2-YL)benzamide
CID 50825352
N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-4-fluoro-3-[(3-fluorophenyl)sulfonylamino]benzamide
CID 49783848
2-[4-[[2-butyl-6-(propan-2-ylsulfonylamino)benzimidazol-1-yl]methyl]phenyl]-N-(trifluoromethylsulfonyl)benzamide
CID 54452330

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (CID 126688620) is 3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is CS(=O)(=O)CCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.
What is the InChIKey of 3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The InChIKey is NOKIQZPETVINBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O5S/c1-35(32,33)11-3-8-29-19-7-6-17(28-9-10-34-14-20(28)30)13-18(19)26-23(29)27-22(31)16-5-2-4-15(12-16)21(24)25/h2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31).
What are the key properties of 3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide has a molecular weight of 506.53 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 126688620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).