N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine

C104H95F6N27O8S — CID 158402164

About N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine

N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine (PubChem CID 158402164) has the molecular formula C104H95F6N27O8S and a molecular weight of 1997.14 g/mol. Its IUPAC name is N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine.

Molecular Properties

• Compound Name: N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine
• PubChem CID: 158402164
• Molecular Formula: C104H95F6N27O8S
• Molecular Weight: 1997.14 g/mol
• Exact Mass: 1995.75
• IUPAC Name: N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine
• SMILES: CN(C(=O)C(F)(F)F)c1ccc(NCCc2cccnc2)c(N)c1.CN(C(=O)c1cccc(C#N)c1)c1ccc2c(c1)nc(N)n2CCc1cccnc1.CN(C(=O)c1cccc(C#N)c1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3cnco3)s1)n2CCc1cccnc1.CNc1ccc2c(c1)nc(N)n2CCc1cccnc1.COC(=O)Nc1nc2cc(N(C)C(=O)C(F)(F)F)ccc2n1CCc1cccnc1
• InChI: InChI=1S/C31H23N7O3S.C23H20N6O.C19H18F3N5O3.C16H17F3N4O.C15H17N5/c1-37(30(40)22-6-2-4-21(14-22)16-32)23-7-8-25-24(15-23)35-31(38(25)13-11-20-5-3-12-33-17-20)36-29(39)28-10-9-27(42-28)26-18-34-19-41-26;1-28(22(30)18-6-2-4-17(12-18)14-24)19-7-8-21-20(13-19)27-23(25)29(21)11-9-16-5-3-10-26-15-16;1-26(16(28)19(20,21)22)13-5-6-15-14(10-13)24-17(25-18(29)30-2)27(15)9-7-12-4-3-8-23-11-12;1-23(15(24)16(17,18)19)12-4-5-14(13(20)9-12)22-8-6-11-3-2-7-21-10-11;1-17-12-4-5-14-13(9-12)19-15(16)20(14)8-6-11-3-2-7-18-10-11/h2-10,12,14-15,17-19H,11,13H2,1H3,(H,35,36,39);2-8,10,12-13,15H,9,11H2,1H3,(H2,25,27);3-6,8,10-11H,7,9H2,1-2H3,(H,24,25,29);2-5,7,9-10,22H,6,8,20H2,1H3;2-5,7,9-10,17H,6,8H2,1H3,(H2,16,19)
• InChIKey: GYFVZOIDYGVGOX-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 460.13 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1997.14
LogP ≤ 5	17.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine?

The IUPAC name of N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine (CID 158402164) is N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine.

What is the SMILES notation for N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine?

The canonical SMILES for N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine is CN(C(=O)C(F)(F)F)c1ccc(NCCc2cccnc2)c(N)c1.CN(C(=O)c1cccc(C#N)c1)c1ccc2c(c1)nc(N)n2CCc1cccnc1.CN(C(=O)c1cccc(C#N)c1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3cnco3)s1)n2CCc1cccnc1.CNc1ccc2c(c1)nc(N)n2CCc1cccnc1.COC(=O)Nc1nc2cc(N(C)C(=O)C(F)(F)F)ccc2n1CCc1cccnc1.

What is the InChIKey of N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine?

The InChIKey is GYFVZOIDYGVGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N7O3S.C23H20N6O.C19H18F3N5O3.C16H17F3N4O.C15H17N5/c1-37(30(40)22-6-2-4-21(14-22)16-32)23-7-8-25-24(15-23)35-31(38(25)13-11-20-5-3-12-33-17-20)36-29(39)28-10-9-27(42-28)26-18-34-19-41-26;1-28(22(30)18-6-2-4-17(12-18)14-24)19-7-8-21-20(13-19)27-23(25)29(21)11-9-16-5-3-10-26-15-16;1-26(16(28)19(20,21)22)13-5-6-15-14(10-13)24-17(25-18(29)30-2)27(15)9-7-12-4-3-8-23-11-12;1-23(15(24)16(17,18)19)12-4-5-14(13(20)9-12)22-8-6-11-3-2-7-21-10-11;1-17-12-4-5-14-13(9-12)19-15(16)20(14)8-6-11-3-2-7-18-10-11/h2-10,12,14-15,17-19H,11,13H2,1H3,(H,35,36,39);2-8,10,12-13,15H,9,11H2,1H3,(H2,25,27);3-6,8,10-11H,7,9H2,1-2H3,(H,24,25,29);2-5,7,9-10,22H,6,8,20H2,1H3;2-5,7,9-10,17H,6,8H2,1H3,(H2,16,19).

What are the key properties of N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine?

N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine has a molecular weight of 1997.14 g/mol, XLogP of 17.71, 27 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-3-cyano-N-methylbenzamide;N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;methyl N-[5-[methyl-(2,2,2-trifluoroacetyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate;5-N-methyl-1-(2-pyridin-3-ylethyl)benzimidazole-2,5-diamine is sourced from PubChem (CID 158402164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).