5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine

C41H35F6N11O2 — CID 157100471

IUPAC5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccccc2C)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2cccnc2C)cn1
InChIInChI=1S/C21H18F3N5O.C20H17F3N6O/c1-13-5-3-4-6-14(13)10-25-18-11-27-19(12-26-18)29-17-8-7-15(30-2)9-16(17)28-20(29)21(22,23)24;1-12-13(4-3-7-24-12)9-25-17-10-27-18(11-26-17)29-16-6-5-14(30-2)8-15(16)28-19(29)20(21,22)23/h3-9,11-12H,10H2,1-2H3,(H,25,26);3-8,10-11H,9H2,1-2H3,(H,25,26)
InChIKeyAFSACXFLLKZCCP-UHFFFAOYSA-N
MW827.79 g/mol
LogP8.92
Rot. Bonds10

About 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine

5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine (PubChem CID 157100471) has the molecular formula C41H35F6N11O2 and a molecular weight of 827.79 g/mol. Its IUPAC name is 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine
PubChem CID157100471
Molecular FormulaC41H35F6N11O2
Molecular Weight827.79 g/mol
Exact Mass827.29
IUPAC Name5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccccc2C)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2cccnc2C)cn1
InChIInChI=1S/C21H18F3N5O.C20H17F3N6O/c1-13-5-3-4-6-14(13)10-25-18-11-27-19(12-26-18)29-17-8-7-15(30-2)9-16(17)28-20(29)21(22,23)24;1-12-13(4-3-7-24-12)9-25-17-10-27-18(11-26-17)29-16-6-5-14(30-2)8-15(16)28-19(29)20(21,22)23/h3-9,11-12H,10H2,1-2H3,(H,25,26);3-8,10-11H,9H2,1-2H3,(H,25,26)
InChIKeyAFSACXFLLKZCCP-UHFFFAOYSA-N
XLogP8.92
TPSA142.61 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500827.79
LogP ≤ 58.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine with MolForge

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Related Compounds

Raf265
CID 11656518
1-(7-fluoro-6-methoxy-1-{[2-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)piperidin-3-amine
CID 23646515
2-{4-[(6,7-Difluoro-1h-Benzimidazol-2-Yl)amino]phenoxy}-N-Methyl-3,4'-Bipyridin-2'-Amine
CID 24983496
N-[4-[2-[2-fluoro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 11476663
N-(3-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064750
Lut-014
CID 138319775
1-Piperazineacetamide, 4-ethyl-N-[4-[[2-[[2-fluoro-5-(trifluoromethyl)phenyl]amino]-1-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]-
CID 11387552
N-[4-[2-[2-fluoro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxypyridin-2-yl]-1-propan-2-ylpiperidine-4-carboxamide
CID 11433057
N'-[[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11706779
N-(4-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064288
1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 16064449
N-(3-tert-butylphenyl)-1-methyl-5-[[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-amine
CID 16064748

Frequently Asked Questions

What is the IUPAC name of 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine?
The IUPAC name of 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine (CID 157100471) is 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine?
The canonical SMILES for 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccccc2C)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2cccnc2C)cn1.
What is the InChIKey of 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine?
The InChIKey is AFSACXFLLKZCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O.C20H17F3N6O/c1-13-5-3-4-6-14(13)10-25-18-11-27-19(12-26-18)29-17-8-7-15(30-2)9-16(17)28-20(29)21(22,23)24;1-12-13(4-3-7-24-12)9-25-17-10-27-18(11-26-17)29-16-6-5-14(30-2)8-15(16)28-19(29)20(21,22)23/h3-9,11-12H,10H2,1-2H3,(H,25,26);3-8,10-11H,9H2,1-2H3,(H,25,26).
What are the key properties of 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine?
5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine has a molecular weight of 827.79 g/mol, XLogP of 8.92, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 157100471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).