N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide

C43H35F6N11O4 — CID 160981500

IUPACN-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide
SMILESCCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccccc2C)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccnc2C)cn1
InChIInChI=1S/C22H18F3N5O2.C21H17F3N6O2/c1-3-32-14-8-9-17-16(10-14)28-21(22(23,24)25)30(17)19-12-26-18(11-27-19)29-20(31)15-7-5-4-6-13(15)2;1-3-32-13-6-7-16-15(9-13)28-20(21(22,23)24)30(16)18-11-26-17(10-27-18)29-19(31)14-5-4-8-25-12(14)2/h4-12H,3H2,1-2H3,(H,26,29,31);4-11H,3H2,1-2H3,(H,26,29,31)
InChIKeySZOQUQPQJCZEOB-UHFFFAOYSA-N
MW883.81 g/mol
LogP8.98
Rot. Bonds10

About N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide

N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide (PubChem CID 160981500) has the molecular formula C43H35F6N11O4 and a molecular weight of 883.81 g/mol. Its IUPAC name is N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide
PubChem CID160981500
Molecular FormulaC43H35F6N11O4
Molecular Weight883.81 g/mol
Exact Mass883.28
IUPAC NameN-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide
SMILESCCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccccc2C)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccnc2C)cn1
InChIInChI=1S/C22H18F3N5O2.C21H17F3N6O2/c1-3-32-14-8-9-17-16(10-14)28-21(22(23,24)25)30(17)19-12-26-18(11-27-19)29-20(31)15-7-5-4-6-13(15)2;1-3-32-13-6-7-16-15(9-13)28-20(21(22,23)24)30(16)18-11-26-17(10-27-18)29-19(31)14-5-4-8-25-12(14)2/h4-12H,3H2,1-2H3,(H,26,29,31);4-11H,3H2,1-2H3,(H,26,29,31)
InChIKeySZOQUQPQJCZEOB-UHFFFAOYSA-N
XLogP8.98
TPSA176.75 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500883.81
LogP ≤ 58.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide 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

N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(morpholin-4-yl)benzamide
CID 16099846
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 16099861
Benzimidazole-urea, 50
CID 10120050
N-(2,6-difluorophenyl)-3-(3-(2-(3-(2-(dimethylamino)ethoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571810
N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1H-1,3-benzodiazol-2-yl}-2-(1H-pyrrol-1-yl)benzamide
CID 17755860
4-{5-[(1-Methylpiperidin-4-YL)oxy]-1H-benzimidazol-1-YL}-2-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide
CID 50990894
4-[2-anilino-4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]benzamide
CID 137649794
9-(2,6-Dimethylphenyl)-4-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]anilino]-1,3,5,9,11-pentazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,10,12,14,16-heptaen-8-one
CID 11331007
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(3-piperidin-1-ylpropoxy)benzamide
CID 44529191
N-(2,6-difluorophenyl)-3-(3-(2-(2-methoxy-4-(4-(pyrrolidin-1-yl)piperidin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571815
(R)-N-(2,6-difluorophenyl)-3-(3-(2-(4-(4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl)-2-methoxyphenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571816
(E)-4-Fluoro-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(pyridin-2-yloxy)-1H-benzo[d]imidazol-2(3H)-ylidene)benzamide
CID 56650693

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide (CID 160981500) is N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide is CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccccc2C)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccnc2C)cn1.
What is the InChIKey of N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is SZOQUQPQJCZEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2.C21H17F3N6O2/c1-3-32-14-8-9-17-16(10-14)28-21(22(23,24)25)30(17)19-12-26-18(11-27-19)29-20(31)15-7-5-4-6-13(15)2;1-3-32-13-6-7-16-15(9-13)28-20(21(22,23)24)30(16)18-11-26-17(10-27-18)29-19(31)14-5-4-8-25-12(14)2/h4-12H,3H2,1-2H3,(H,26,29,31);4-11H,3H2,1-2H3,(H,26,29,31).
What are the key properties of N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide?
N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 883.81 g/mol, XLogP of 8.98, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 160981500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).