N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine

C40H28F10N10O2 — CID 157142973

IUPACN-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2cc(F)ccc2F)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccc(F)cc2F)cn1
InChIInChI=1S/2C20H14F5N5O/c1-31-13-3-5-16-15(7-13)29-19(20(23,24)25)30(16)18-10-27-17(9-28-18)26-8-11-6-12(21)2-4-14(11)22;1-31-13-4-5-16-15(7-13)29-19(20(23,24)25)30(16)18-10-27-17(9-28-18)26-8-11-2-3-12(21)6-14(11)22/h2*2-7,9-10H,8H2,1H3,(H,26,27)
InChIKeyAKJUOXFFCOUEHV-UHFFFAOYSA-N
MW870.71 g/mol
LogP9.47
Rot. Bonds10

About N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine

N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine (PubChem CID 157142973) has the molecular formula C40H28F10N10O2 and a molecular weight of 870.71 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine
PubChem CID157142973
Molecular FormulaC40H28F10N10O2
Molecular Weight870.71 g/mol
Exact Mass870.22
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2cc(F)ccc2F)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccc(F)cc2F)cn1
InChIInChI=1S/2C20H14F5N5O/c1-31-13-3-5-16-15(7-13)29-19(20(23,24)25)30(16)18-10-27-17(9-28-18)26-8-11-6-12(21)2-4-14(11)22;1-31-13-4-5-16-15(7-13)29-19(20(23,24)25)30(16)18-10-27-17(9-28-18)26-8-11-2-3-12(21)6-14(11)22/h2*2-7,9-10H,8H2,1H3,(H,26,27)
InChIKeyAKJUOXFFCOUEHV-UHFFFAOYSA-N
XLogP9.47
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500870.71
LogP ≤ 59.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]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
N-[4-[1-methyl-2-[3-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568471
N-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 57568544
N-[4-[1-methyl-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568562
N-[4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 57568659
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

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine (CID 157142973) is N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2cc(F)ccc2F)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccc(F)cc2F)cn1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine?
The InChIKey is AKJUOXFFCOUEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H14F5N5O/c1-31-13-3-5-16-15(7-13)29-19(20(23,24)25)30(16)18-10-27-17(9-28-18)26-8-11-6-12(21)2-4-14(11)22;1-31-13-4-5-16-15(7-13)29-19(20(23,24)25)30(16)18-10-27-17(9-28-18)26-8-11-2-3-12(21)6-14(11)22/h2*2-7,9-10H,8H2,1H3,(H,26,27).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine?
N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine has a molecular weight of 870.71 g/mol, XLogP of 9.47, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine is sourced from PubChem (CID 157142973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).