1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine

C42H37BrF6N10O2 — CID 158890656

IUPAC1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(Br)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccccc2C)cn1.Cc1ccccc1CN
InChIInChI=1S/C21H18F3N5O.C13H8BrF3N4O.C8H11N/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;1-22-7-2-3-9-8(4-7)20-12(13(15,16)17)21(9)11-6-18-10(14)5-19-11;1-7-4-2-3-5-8(7)6-9/h3-9,11-12H,10H2,1-2H3,(H,25,26);2-6H,1H3;2-5H,6,9H2,1H3
InChIKeyJEEMZHKZBBMHGZ-UHFFFAOYSA-N
MW907.72 g/mol
LogP9.82
Rot. Bonds8

About 1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine

1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine (PubChem CID 158890656) has the molecular formula C42H37BrF6N10O2 and a molecular weight of 907.72 g/mol. Its IUPAC name is 1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine
PubChem CID158890656
Molecular FormulaC42H37BrF6N10O2
Molecular Weight907.72 g/mol
Exact Mass906.22
IUPAC Name1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(Br)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccccc2C)cn1.Cc1ccccc1CN
InChIInChI=1S/C21H18F3N5O.C13H8BrF3N4O.C8H11N/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;1-22-7-2-3-9-8(4-7)20-12(13(15,16)17)21(9)11-6-18-10(14)5-19-11;1-7-4-2-3-5-8(7)6-9/h3-9,11-12H,10H2,1-2H3,(H,25,26);2-6H,1H3;2-5H,6,9H2,1H3
InChIKeyJEEMZHKZBBMHGZ-UHFFFAOYSA-N
XLogP9.82
TPSA143.71 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500907.72
LogP ≤ 59.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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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
N-(3-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064750
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-[[(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
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064891
N-(5-tert-butyl-2-fluorophenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064892
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-5-[2-(5-methyl-1H-imidazol-2-yl)pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064893
RAF-265 derivative
CID 23654923

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine?
The IUPAC name of 1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine (CID 158890656) is 1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine.
What is the SMILES notation for 1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine?
The canonical SMILES for 1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(Br)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccccc2C)cn1.Cc1ccccc1CN.
What is the InChIKey of 1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine?
The InChIKey is JEEMZHKZBBMHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O.C13H8BrF3N4O.C8H11N/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;1-22-7-2-3-9-8(4-7)20-12(13(15,16)17)21(9)11-6-18-10(14)5-19-11;1-7-4-2-3-5-8(7)6-9/h3-9,11-12H,10H2,1-2H3,(H,25,26);2-6H,1H3;2-5H,6,9H2,1H3.
What are the key properties of 1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine?
1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine has a molecular weight of 907.72 g/mol, XLogP of 9.82, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;(2-methylphenyl)methanamine is sourced from PubChem (CID 158890656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).