6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine

C86H72Br2N22 — CID 158927762

IUPAC6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine
SMILESC[C@H](Nc1cncc(-n2cnc3cc(-c4ccncc4)ccc32)n1)c1ccccc1.C[C@H](Nc1cncc(-n2cnc3cc(Br)ccc32)n1)c1ccccc1.C[C@H](Nc1cncc(-n2cnc3ccc(-c4ccncc4)cc32)n1)c1ccccc1.C[C@H](Nc1cncc(-n2cnc3ccc(Br)cc32)n1)c1ccccc1
InChIInChI=1S/2C24H20N6.2C19H16BrN5/c1-17(18-5-3-2-4-6-18)28-23-14-26-15-24(29-23)30-16-27-21-13-20(7-8-22(21)30)19-9-11-25-12-10-19;1-17(18-5-3-2-4-6-18)28-23-14-26-15-24(29-23)30-16-27-21-8-7-20(13-22(21)30)19-9-11-25-12-10-19;1-13(14-5-3-2-4-6-14)23-18-10-21-11-19(24-18)25-12-22-16-9-15(20)7-8-17(16)25;1-13(14-5-3-2-4-6-14)23-18-10-21-11-19(24-18)25-12-22-16-8-7-15(20)9-17(16)25/h2*2-17H,1H3,(H,28,29);2*2-13H,1H3,(H,23,24)/t2*17-;2*13-/m0000/s1
InChIKeyJIQSDABGDYBTOB-MZVHXXADSA-N
MW1573.48 g/mol
LogP19.60
Rot. Bonds18

About 6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine

6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine (PubChem CID 158927762) has the molecular formula C86H72Br2N22 and a molecular weight of 1573.48 g/mol. Its IUPAC name is 6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine
PubChem CID158927762
Molecular FormulaC86H72Br2N22
Molecular Weight1573.48 g/mol
Exact Mass1570.47
IUPAC Name6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine
SMILESC[C@H](Nc1cncc(-n2cnc3cc(-c4ccncc4)ccc32)n1)c1ccccc1.C[C@H](Nc1cncc(-n2cnc3cc(Br)ccc32)n1)c1ccccc1.C[C@H](Nc1cncc(-n2cnc3ccc(-c4ccncc4)cc32)n1)c1ccccc1.C[C@H](Nc1cncc(-n2cnc3ccc(Br)cc32)n1)c1ccccc1
InChIInChI=1S/2C24H20N6.2C19H16BrN5/c1-17(18-5-3-2-4-6-18)28-23-14-26-15-24(29-23)30-16-27-21-13-20(7-8-22(21)30)19-9-11-25-12-10-19;1-17(18-5-3-2-4-6-18)28-23-14-26-15-24(29-23)30-16-27-21-8-7-20(13-22(21)30)19-9-11-25-12-10-19;1-13(14-5-3-2-4-6-14)23-18-10-21-11-19(24-18)25-12-22-16-9-15(20)7-8-17(16)25;1-13(14-5-3-2-4-6-14)23-18-10-21-11-19(24-18)25-12-22-16-8-7-15(20)9-17(16)25/h2*2-17H,1H3,(H,28,29);2*2-13H,1H3,(H,23,24)/t2*17-;2*13-/m0000/s1
InChIKeyJIQSDABGDYBTOB-MZVHXXADSA-N
XLogP19.60
TPSA248.30 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.48
LogP ≤ 519.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[6-Bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline
CID 142454337
3-[4-[6-Bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-8-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline
CID 142454341
4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole
CID 157185595
6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 157213669
N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 157363932
6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 158788214
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
2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole
CID 163439179
4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
CID 163714694
boranuide;2-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)imidazole;carbanide;methane;3-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;3-methyl-1-(2-propan-2-yl-3-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;palladium(2+)
CID 164127815
2-(6-Tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole
CID 167564197
8-fluoro-N-(3-fluoro-5-methyl-2-pyridinyl)isoquinolin-6-amine;4-fluoro-N-(3-fluoro-4-pyridinyl)-1,5-naphthyridin-2-amine;8-fluoro-N-(5-methyl-2-pyridinyl)isoquinolin-6-amine;1-(4-fluoro-5-methyl-2-pyridinyl)pyrrolo[2,3-c]pyridine;N-(3-fluoro-4-pyridinyl)-1,5-naphthyridin-2-amine;4-fluoro-N-pyridin-4-yl-1,5-naphthyridin-2-amine;2-(5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;1-(5-methyl-2-pyridinyl)pyrrolo[2,3-c]pyridine;2-[5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole
CID 167685654

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine?
The IUPAC name of 6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine (CID 158927762) is 6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine?
The canonical SMILES for 6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine is C[C@H](Nc1cncc(-n2cnc3cc(-c4ccncc4)ccc32)n1)c1ccccc1.C[C@H](Nc1cncc(-n2cnc3cc(Br)ccc32)n1)c1ccccc1.C[C@H](Nc1cncc(-n2cnc3ccc(-c4ccncc4)cc32)n1)c1ccccc1.C[C@H](Nc1cncc(-n2cnc3ccc(Br)cc32)n1)c1ccccc1.
What is the InChIKey of 6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine?
The InChIKey is JIQSDABGDYBTOB-MZVHXXADSA-N. The full InChI is InChI=1S/2C24H20N6.2C19H16BrN5/c1-17(18-5-3-2-4-6-18)28-23-14-26-15-24(29-23)30-16-27-21-13-20(7-8-22(21)30)19-9-11-25-12-10-19;1-17(18-5-3-2-4-6-18)28-23-14-26-15-24(29-23)30-16-27-21-8-7-20(13-22(21)30)19-9-11-25-12-10-19;1-13(14-5-3-2-4-6-14)23-18-10-21-11-19(24-18)25-12-22-16-9-15(20)7-8-17(16)25;1-13(14-5-3-2-4-6-14)23-18-10-21-11-19(24-18)25-12-22-16-8-7-15(20)9-17(16)25/h2*2-17H,1H3,(H,28,29);2*2-13H,1H3,(H,23,24)/t2*17-;2*13-/m0000/s1.
What are the key properties of 6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine?
6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine has a molecular weight of 1573.48 g/mol, XLogP of 19.60, 18 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;6-(6-bromobenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine;N-[(1S)-1-phenylethyl]-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 158927762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).