dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane

C161H149Cl2F22N29O23Sn — CID 161215083

About dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane

dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane (PubChem CID 161215083) has the molecular formula C161H149Cl2F22N29O23Sn and a molecular weight of 3465.72 g/mol. Its IUPAC name is dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane.

Molecular Properties

• Compound Name: dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane
• PubChem CID: 161215083
• Molecular Formula: C161H149Cl2F22N29O23Sn
• Molecular Weight: 3465.72 g/mol
• Exact Mass: 3463.94
• IUPAC Name: dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane
• SMILES: C.C.CC(=O)c1ccc([N+](=O)[O-])cc1.CO/C(=C\C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1.COC(C)(OC)c1ccc([N+](=O)[O-])cc1.COC(OC)OC.Cc1cc(-c2ccc(N)cc2)nc2nc3ccccc3n12.Cc1cc(-c2ccc(NCCCF)cc2)nc2nc3ccccc3n12.Cc1cc(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3n12.Cl[Sn]Cl.FCCCNc1ccc(-c2cc(C(F)(F)F)nc3nc4ccccc4n23)cc1.NC1=Nc2ccccc2C1.Nc1ccc(-c2cc(C(F)(F)F)nc3nc4ccccc4n23)cc1.O=C(OC(=O)C(F)(F)F)C(F)(F)F.O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)nc3nc4ccccc4n23)cc1.OCCCF.OCCCF
• InChI: InChI=1S/C20H16F4N4.C20H19FN4.C17H9F3N4O2.C17H11F3N4.C17H12N4O2.C17H14N4.C11H8F3NO4.C10H13NO4.C8H8N2.C8H7NO3.C4F6O3.C4H10O3.2C3H7FO.2CH4.2ClH.Sn/c21-10-3-11-25-14-8-6-13(7-9-14)17-12-18(20(22,23)24)27-19-26-15-4-1-2-5-16(15)28(17)19;1-14-13-18(15-7-9-16(10-8-15)22-12-4-11-21)24-20-23-17-5-2-3-6-19(17)25(14)20;18-17(19,20)15-9-14(10-5-7-11(8-6-10)24(25)26)23-13-4-2-1-3-12(13)21-16(23)22-15;18-17(19,20)15-9-14(10-5-7-11(21)8-6-10)24-13-4-2-1-3-12(13)22-16(24)23-15;1-11-10-15(12-6-8-13(9-7-12)21(22)23)19-17-18-14-4-2-3-5-16(14)20(11)17;1-11-10-15(12-6-8-13(18)9-7-12)20-17-19-14-4-2-3-5-16(14)21(11)17;1-19-9(6-10(16)11(12,13)14)7-2-4-8(5-3-7)15(17)18;1-10(14-2,15-3)8-4-6-9(7-5-8)11(12)13;9-8-5-6-3-1-2-4-7(6)10-8;1-6(10)7-2-4-8(5-3-7)9(11)12;5-3(6,7)1(11)13-2(12)4(8,9)10;1-5-4(6-2)7-3;2*4-2-1-3-5;;;;;/h1-2,4-9,12,25H,3,10-11H2;2-3,5-10,13,22H,4,11-12H2,1H3;1-9H;1-9H,21H2;2-10H,1H3;2-10H,18H2,1H3;2-6H,1H3;4-7H,1-3H3;1-4H,5H2,(H2,9,10);2-5H,1H3;;4H,1-3H3;2*5H,1-3H2;2*1H4;2*1H;/q;;;;;;;;;;;;;;;;;;+2/p-2/b;;;;;;9-6-
• InChIKey: UWTFWMIZGBTXEX-GTUAQKEHSA-L
• XLogP: 37.94
• TPSA: 684.67 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 47
• Rotatable Bonds: 33
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3465.72
LogP ≤ 5	37.94
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane?

The IUPAC name of dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane (CID 161215083) is dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane.

What is the SMILES notation for dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane?

The canonical SMILES for dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane is C.C.CC(=O)c1ccc([N+](=O)[O-])cc1.CO/C(=C\C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1.COC(C)(OC)c1ccc([N+](=O)[O-])cc1.COC(OC)OC.Cc1cc(-c2ccc(N)cc2)nc2nc3ccccc3n12.Cc1cc(-c2ccc(NCCCF)cc2)nc2nc3ccccc3n12.Cc1cc(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3n12.Cl[Sn]Cl.FCCCNc1ccc(-c2cc(C(F)(F)F)nc3nc4ccccc4n23)cc1.NC1=Nc2ccccc2C1.Nc1ccc(-c2cc(C(F)(F)F)nc3nc4ccccc4n23)cc1.O=C(OC(=O)C(F)(F)F)C(F)(F)F.O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)nc3nc4ccccc4n23)cc1.OCCCF.OCCCF.

What is the InChIKey of dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane?

The InChIKey is UWTFWMIZGBTXEX-GTUAQKEHSA-L. The full InChI is InChI=1S/C20H16F4N4.C20H19FN4.C17H9F3N4O2.C17H11F3N4.C17H12N4O2.C17H14N4.C11H8F3NO4.C10H13NO4.C8H8N2.C8H7NO3.C4F6O3.C4H10O3.2C3H7FO.2CH4.2ClH.Sn/c21-10-3-11-25-14-8-6-13(7-9-14)17-12-18(20(22,23)24)27-19-26-15-4-1-2-5-16(15)28(17)19;1-14-13-18(15-7-9-16(10-8-15)22-12-4-11-21)24-20-23-17-5-2-3-6-19(17)25(14)20;18-17(19,20)15-9-14(10-5-7-11(8-6-10)24(25)26)23-13-4-2-1-3-12(13)21-16(23)22-15;18-17(19,20)15-9-14(10-5-7-11(21)8-6-10)24-13-4-2-1-3-12(13)22-16(24)23-15;1-11-10-15(12-6-8-13(9-7-12)21(22)23)19-17-18-14-4-2-3-5-16(14)20(11)17;1-11-10-15(12-6-8-13(18)9-7-12)20-17-19-14-4-2-3-5-16(14)21(11)17;1-19-9(6-10(16)11(12,13)14)7-2-4-8(5-3-7)15(17)18;1-10(14-2,15-3)8-4-6-9(7-5-8)11(12)13;9-8-5-6-3-1-2-4-7(6)10-8;1-6(10)7-2-4-8(5-3-7)9(11)12;5-3(6,7)1(11)13-2(12)4(8,9)10;1-5-4(6-2)7-3;2*4-2-1-3-5;;;;;/h1-2,4-9,12,25H,3,10-11H2;2-3,5-10,13,22H,4,11-12H2,1H3;1-9H;1-9H,21H2;2-10H,1H3;2-10H,18H2,1H3;2-6H,1H3;4-7H,1-3H3;1-4H,5H2,(H2,9,10);2-5H,1H3;;4H,1-3H3;2*5H,1-3H2;2*1H4;2*1H;/q;;;;;;;;;;;;;;;;;;+2/p-2/b;;;;;;9-6-;;;;;;;;;;;;.

What are the key properties of dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane?

dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane has a molecular weight of 3465.72 g/mol, XLogP of 37.94, 33 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for dichlorotin;1-(1,1-dimethoxyethyl)-4-nitrobenzene;bis(3-fluoropropan-1-ol);N-(3-fluoropropyl)-4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;N-(3-fluoropropyl)-4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;3H-indol-2-amine;methane;4-methyl-2-(4-nitrophenyl)pyrimido[1,2-a]benzimidazole;4-(4-methylpyrimido[1,2-a]benzimidazol-2-yl)aniline;1-(4-nitrophenyl)ethanone;4-(4-nitrophenyl)-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxy-4-(4-nitrophenyl)but-3-en-2-one;4-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-4-yl]aniline;trimethoxymethane is sourced from PubChem (CID 161215083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).