N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine

C84H92Cl2F6N18O7 — CID 158139178

About N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine

N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine (PubChem CID 158139178) has the molecular formula C84H92Cl2F6N18O7 and a molecular weight of 1650.67 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
• PubChem CID: 158139178
• Molecular Formula: C84H92Cl2F6N18O7
• Molecular Weight: 1650.67 g/mol
• Exact Mass: 1648.67
• IUPAC Name: N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
• SMILES: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCc1cc(Nc2cncc(-n3c(C)nc4ccccc43)n2)ccc1C(F)(F)F.Cc1ccc(Cl)cc1CN.Cc1ccc(Cl)cc1CNC(=O)OC(C)(C)C.Cc1nc2ccccc2n1-c1cncc(N)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)c(CN)c2)n1
• InChI: InChI=1S/C21H18F3N5.C20H17F3N6.C13H18ClNO2.C12H11N5.C10H18O5.C8H10ClN/c1-3-14-10-15(8-9-16(14)21(22,23)24)27-19-11-25-12-20(28-19)29-13(2)26-17-6-4-5-7-18(17)29;1-12-26-16-4-2-3-5-17(16)29(12)19-11-25-10-18(28-19)27-14-6-7-15(20(21,22)23)13(8-14)9-24;1-9-5-6-11(14)7-10(9)8-15-12(16)17-13(2,3)4;1-8-15-9-4-2-3-5-10(9)17(8)12-7-14-6-11(13)16-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-6-2-3-8(9)4-7(6)5-10/h4-12H,3H2,1-2H3,(H,27,28);2-8,10-11H,9,24H2,1H3,(H,27,28);5-7H,8H2,1-4H3,(H,15,16);2-7H,1H3,(H2,13,16);1-6H3;2-4H,5,10H2,1H3
• InChIKey: FTSPJCPYOGWCBB-UHFFFAOYSA-N
• XLogP: 20.15
• TPSA: 333.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1650.67
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?

The IUPAC name of N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine (CID 158139178) is N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine.

What is the SMILES notation for N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?

The canonical SMILES for N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine is CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCc1cc(Nc2cncc(-n3c(C)nc4ccccc43)n2)ccc1C(F)(F)F.Cc1ccc(Cl)cc1CN.Cc1ccc(Cl)cc1CNC(=O)OC(C)(C)C.Cc1nc2ccccc2n1-c1cncc(N)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)c(CN)c2)n1.

What is the InChIKey of N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?

The InChIKey is FTSPJCPYOGWCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5.C20H17F3N6.C13H18ClNO2.C12H11N5.C10H18O5.C8H10ClN/c1-3-14-10-15(8-9-16(14)21(22,23)24)27-19-11-25-12-20(28-19)29-13(2)26-17-6-4-5-7-18(17)29;1-12-26-16-4-2-3-5-17(16)29(12)19-11-25-10-18(28-19)27-14-6-7-15(20(21,22)23)13(8-14)9-24;1-9-5-6-11(14)7-10(9)8-15-12(16)17-13(2,3)4;1-8-15-9-4-2-3-5-10(9)17(8)12-7-14-6-11(13)16-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-6-2-3-8(9)4-7(6)5-10/h4-12H,3H2,1-2H3,(H,27,28);2-8,10-11H,9,24H2,1H3,(H,27,28);5-7H,8H2,1-4H3,(H,15,16);2-7H,1H3,(H2,13,16);1-6H3;2-4H,5,10H2,1H3.

What are the key properties of N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?

N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine has a molecular weight of 1650.67 g/mol, XLogP of 20.15, 12 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(5-chloro-2-methylphenyl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(5-chloro-2-methylphenyl)methanamine;N-[3-ethyl-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 158139178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).