2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide

C28H26F2N8O3S — CID 59674130

IUPAC2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide
SMILESCc1ccc(Nc2nccc(N(C)c3ccc4c(c3)nc(NC(=O)Cc3cc(F)ccc3F)n4C)n2)cc1S(N)(=O)=O
InChIInChI=1S/C28H26F2N8O3S/c1-16-4-6-19(14-24(16)42(31,40)41)33-27-32-11-10-25(35-27)37(2)20-7-9-23-22(15-20)34-28(38(23)3)36-26(39)13-17-12-18(29)5-8-21(17)30/h4-12,14-15H,13H2,1-3H3,(H2,31,40,41)(H,32,33,35)(H,34,36,39)
InChIKeyQDJQIODFHKCOED-UHFFFAOYSA-N
MW592.63 g/mol
LogP4.29
Rot. Bonds8

About 2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide

2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide (PubChem CID 59674130) has the molecular formula C28H26F2N8O3S and a molecular weight of 592.63 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide
PubChem CID59674130
Molecular FormulaC28H26F2N8O3S
Molecular Weight592.63 g/mol
Exact Mass592.18
IUPAC Name2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide
SMILESCc1ccc(Nc2nccc(N(C)c3ccc4c(c3)nc(NC(=O)Cc3cc(F)ccc3F)n4C)n2)cc1S(N)(=O)=O
InChIInChI=1S/C28H26F2N8O3S/c1-16-4-6-19(14-24(16)42(31,40)41)33-27-32-11-10-25(35-27)37(2)20-7-9-23-22(15-20)34-28(38(23)3)36-26(39)13-17-12-18(29)5-8-21(17)30/h4-12,14-15H,13H2,1-3H3,(H2,31,40,41)(H,32,33,35)(H,34,36,39)
InChIKeyQDJQIODFHKCOED-UHFFFAOYSA-N
XLogP4.29
TPSA148.13 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.63
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide 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

5-[[4-[[2-[(3-fluorophenyl)methylamino]-1-methylbenzimidazol-5-yl]-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 10239981
1-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]benzimidazol-2-yl]cyclopropane-1-carboxamide
CID 59674178
2-(4-methoxyphenyl)-N-[1-methyl-5-[methyl-[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide
CID 59674213
5-N,1-dimethyl-5-N-[2-(4-methyl-3-methylsulfonylanilino)pyrimidin-4-yl]-2-N-phenylbenzimidazole-2,5-diamine
CID 10312407
2-N-[(4-fluorophenyl)methyl]-5-N,1-dimethyl-5-N-[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]benzimidazole-2,5-diamine;hydrochloride
CID 10289896
3-[[4-[[2-[(4-chlorophenyl)methylamino]-1-methylbenzimidazol-5-yl]-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 10289915
N-[1-methyl-5-[methyl-[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide
CID 154454088
1-[4-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-3-(4-methylphenyl)urea
CID 134296115
5-N,1-dimethyl-2-N-[(4-methylphenyl)methyl]-5-N-[2-[4-(1-methylsulfonylethyl)anilino]pyrimidin-4-yl]benzimidazole-2,5-diamine
CID 10175311
N-[1-methyl-5-[methyl-[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]benzimidazol-2-yl]-2-[3-(trifluoromethylsulfanyl)phenyl]acetamide
CID 69264800
2-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-methyl-5-[methyl-[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide
CID 142803404
3-[[4-[[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 10312544

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide (CID 59674130) is 2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide is Cc1ccc(Nc2nccc(N(C)c3ccc4c(c3)nc(NC(=O)Cc3cc(F)ccc3F)n4C)n2)cc1S(N)(=O)=O.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide?
The InChIKey is QDJQIODFHKCOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N8O3S/c1-16-4-6-19(14-24(16)42(31,40)41)33-27-32-11-10-25(35-27)37(2)20-7-9-23-22(15-20)34-28(38(23)3)36-26(39)13-17-12-18(29)5-8-21(17)30/h4-12,14-15H,13H2,1-3H3,(H2,31,40,41)(H,32,33,35)(H,34,36,39).
What are the key properties of 2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide?
2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide has a molecular weight of 592.63 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]acetamide is sourced from PubChem (CID 59674130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).