6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C40H31BrF6N10 — CID 161019893

IUPAC6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCCc1ccc2nc(C)n(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1nc2ccc(Br)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H18F3N5.C19H13BrF3N5/c1-3-14-4-9-17-18(10-14)29(13(2)26-17)20-12-25-11-19(28-20)27-16-7-5-15(6-8-16)21(22,23)24;1-11-25-15-7-4-13(20)8-16(15)28(11)18-10-24-9-17(27-18)26-14-5-2-12(3-6-14)19(21,22)23/h4-12H,3H2,1-2H3,(H,27,28);2-10H,1H3,(H,26,27)
InChIKeyTYFOBLSHZYGQFC-UHFFFAOYSA-N
MW845.65 g/mol
LogP11.10
Rot. Bonds7

About 6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 161019893) has the molecular formula C40H31BrF6N10 and a molecular weight of 845.65 g/mol. Its IUPAC name is 6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID161019893
Molecular FormulaC40H31BrF6N10
Molecular Weight845.65 g/mol
Exact Mass844.18
IUPAC Name6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCCc1ccc2nc(C)n(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1nc2ccc(Br)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H18F3N5.C19H13BrF3N5/c1-3-14-4-9-17-18(10-14)29(13(2)26-17)20-12-25-11-19(28-20)27-16-7-5-15(6-8-16)21(22,23)24;1-11-25-15-7-4-13(20)8-16(15)28(11)18-10-24-9-17(27-18)26-14-5-2-12(3-6-14)19(21,22)23/h4-12H,3H2,1-2H3,(H,27,28);2-10H,1H3,(H,26,27)
InChIKeyTYFOBLSHZYGQFC-UHFFFAOYSA-N
XLogP11.10
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.65
LogP ≤ 511.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine with MolForge

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Related Compounds

5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 122657605
7AH7G4DT2X
CID 56948407
5-Bromo-6-trifluoromethyl-2-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-1H-benzoimidazole
CID 11511572
(R)-2-(4-(3-bromopyridin-2-yl)-2-methylpiperazin-1-yl)-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazole
CID 11519795
6-Bromo-2-[4-(3-trifluoromethylpyridin-2-yl)piperazin-1-yl]-1H-benzoimidazole
CID 11597064
1-benzyl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11620372
(R)-2-(4-(3-bromopyridin-2-yl)-3-methylpiperazin-1-yl)-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazole
CID 11621116
4-Bromo-6-trifluoromethyl-2-[4-(3-trifluoromethylpyridin-2-yl)piperazin-1-yl]-1H-benzoimidazole
CID 11670445
(S)-2-(4-(3-bromopyridin-2-yl)-3-methylpiperazin-1-yl)-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazole
CID 11713897
(S)-2-(4-(3-bromopyridin-2-yl)-2-methylpiperazin-1-yl)-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazole
CID 11721124
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine
CID 122657632
6-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-yl]pyrimidin-4-amine
CID 122667328

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 161019893) is 6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is CCc1ccc2nc(C)n(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1nc2ccc(Br)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is TYFOBLSHZYGQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5.C19H13BrF3N5/c1-3-14-4-9-17-18(10-14)29(13(2)26-17)20-12-25-11-19(28-20)27-16-7-5-15(6-8-16)21(22,23)24;1-11-25-15-7-4-13(20)8-16(15)28(11)18-10-24-9-17(27-18)26-14-5-2-12(3-6-14)19(21,22)23/h4-12H,3H2,1-2H3,(H,27,28);2-10H,1H3,(H,26,27).
What are the key properties of 6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 845.65 g/mol, XLogP of 11.10, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-ethyl-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 161019893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).