N-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine

C40H32F7N11O2 — CID 158250905

IUPACN-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccccc2F)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccncc2C)cn1
InChIInChI=1S/C20H15F4N5O.C20H17F3N6O/c1-30-13-6-7-16-15(8-13)28-19(20(22,23)24)29(16)18-11-26-17(10-27-18)25-9-12-4-2-3-5-14(12)21;1-12-8-24-6-5-13(12)9-25-17-10-27-18(11-26-17)29-16-4-3-14(30-2)7-15(16)28-19(29)20(21,22)23/h2-8,10-11H,9H2,1H3,(H,25,26);3-8,10-11H,9H2,1-2H3,(H,25,26)
InChIKeyGGRYNEOQLLSPJV-UHFFFAOYSA-N
MW831.76 g/mol
LogP8.75
Rot. Bonds10

About N-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine

N-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine (PubChem CID 158250905) has the molecular formula C40H32F7N11O2 and a molecular weight of 831.76 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine
PubChem CID158250905
Molecular FormulaC40H32F7N11O2
Molecular Weight831.76 g/mol
Exact Mass831.26
IUPAC NameN-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccccc2F)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccncc2C)cn1
InChIInChI=1S/C20H15F4N5O.C20H17F3N6O/c1-30-13-6-7-16-15(8-13)28-19(20(22,23)24)29(16)18-11-26-17(10-27-18)25-9-12-4-2-3-5-14(12)21;1-12-8-24-6-5-13(12)9-25-17-10-27-18(11-26-17)29-16-4-3-14(30-2)7-15(16)28-19(29)20(21,22)23/h2-8,10-11H,9H2,1H3,(H,25,26);3-8,10-11H,9H2,1-2H3,(H,25,26)
InChIKeyGGRYNEOQLLSPJV-UHFFFAOYSA-N
XLogP8.75
TPSA142.61 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500831.76
LogP ≤ 58.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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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
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline
CID 10452995
1-Benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole
CID 10543852
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
1-(4-(3-(4-benzylpiperidin-1-yl)propoxy)phenyl)-5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11540902
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine (CID 158250905) is N-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccccc2F)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccncc2C)cn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine?
The InChIKey is GGRYNEOQLLSPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N5O.C20H17F3N6O/c1-30-13-6-7-16-15(8-13)28-19(20(22,23)24)29(16)18-11-26-17(10-27-18)25-9-12-4-2-3-5-14(12)21;1-12-8-24-6-5-13(12)9-25-17-10-27-18(11-26-17)29-16-4-3-14(30-2)7-15(16)28-19(29)20(21,22)23/h2-8,10-11H,9H2,1H3,(H,25,26);3-8,10-11H,9H2,1-2H3,(H,25,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine?
N-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine has a molecular weight of 831.76 g/mol, XLogP of 8.75, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 158250905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).