N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide

C23H22F2N4O3S — CID 122623657

IUPACN-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1ncn2Cc1ccc(F)cc1F
InChIInChI=1S/C23H22F2N4O3S/c1-4-33(31,32)27-20-8-16(17-7-14(2)23(30)28(3)11-17)9-21-22(20)26-13-29(21)12-15-5-6-18(24)10-19(15)25/h5-11,13,27H,4,12H2,1-3H3
InChIKeyXTWBBCAPENQMBM-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.80
Rot. Bonds6

About N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide

N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide (PubChem CID 122623657) has the molecular formula C23H22F2N4O3S and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide
PubChem CID122623657
Molecular FormulaC23H22F2N4O3S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC NameN-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1ncn2Cc1ccc(F)cc1F
InChIInChI=1S/C23H22F2N4O3S/c1-4-33(31,32)27-20-8-16(17-7-14(2)23(30)28(3)11-17)9-21-22(20)26-13-29(21)12-15-5-6-18(24)10-19(15)25/h5-11,13,27H,4,12H2,1-3H3
InChIKeyXTWBBCAPENQMBM-UHFFFAOYSA-N
XLogP3.80
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide 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 N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide (CID 122623657) is N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1ncn2Cc1ccc(F)cc1F.
What is the InChIKey of N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide?
The InChIKey is XTWBBCAPENQMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O3S/c1-4-33(31,32)27-20-8-16(17-7-14(2)23(30)28(3)11-17)9-21-22(20)26-13-29(21)12-15-5-6-18(24)10-19(15)25/h5-11,13,27H,4,12H2,1-3H3.
What are the key properties of N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide?
N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide has a molecular weight of 472.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 122623657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).