acetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine

C137H148Cl4F17N35O23S — CID 158272673

IUPACacetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine
SMILESC=CC(=O)Nc1cc(Cc2nccc(-n3c(=O)n(CC(F)(F)F)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)OC(=O)C=C.CC#N.CNCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1Cc1nccc(-n2c(=O)n(CC(F)(F)F)c3ccccc32)n1.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(N(C)CCN(C)C)c(N)cc1Cc1nccc(-n2c(=O)n(CC(F)(F)F)c3ccccc32)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Cc1nccc(-n2c(=O)n(CC(F)(F)F)c3ccccc32)n1.CS(=O)(=O)O.ClC(Cl)Cl.O=c1n(CC(F)(F)F)c2ccccc2n1-c1ccnc(Cl)n1
InChIInChI=1S/C29H32F3N7O3.C26H28F3N7O4.C26H30F3N7O2.C21H15F4N5O4.C13H8ClF3N4O.C7H7FN2O3.C6H6O3.C5H14N2.C2H3N.CHCl3.CH4O3S/c1-6-27(40)34-20-15-19(24(42-5)17-23(20)37(4)14-13-36(2)3)16-25-33-12-11-26(35-25)39-22-10-8-7-9-21(22)38(28(39)41)18-29(30,31)32;1-32(2)11-12-33(3)20-15-22(40-4)17(13-21(20)36(38)39)14-23-30-10-9-24(31-23)35-19-8-6-5-7-18(19)34(25(35)37)16-26(27,28)29;1-33(2)11-12-34(3)21-15-22(38-4)17(13-18(21)30)14-23-31-10-9-24(32-23)36-20-8-6-5-7-19(20)35(25(36)37)16-26(27,28)29;1-34-17-10-13(22)16(30(32)33)8-12(17)9-18-26-7-6-19(27-18)29-15-5-3-2-4-14(15)28(20(29)31)11-21(23,24)25;14-11-18-6-5-10(19-11)21-9-4-2-1-3-8(9)20(12(21)22)7-13(15,16)17;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-3-5(7)9-6(8)4-2;1-6-4-5-7(2)3;1-2-3;2-1(3)4;1-5(2,3)4/h6-12,15,17H,1,13-14,16,18H2,2-5H3,(H,34,40);5-10,13,15H,11-12,14,16H2,1-4H3;5-10,13,15H,11-12,14,16,30H2,1-4H3;2-8,10H,9,11H2,1H3;1-6H,7H2;2-3H,9H2,1H3;3-4H,1-2H2;6H,4-5H2,1-3H3;1H3;1H;1H3,(H,2,3,4)
InChIKeyZRIVFRBWOXZKTB-UHFFFAOYSA-N
MW3149.76 g/mol
LogP20.97
Rot. Bonds45

About acetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine

acetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine (PubChem CID 158272673) has the molecular formula C137H148Cl4F17N35O23S and a molecular weight of 3149.76 g/mol. Its IUPAC name is acetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound Nameacetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine
PubChem CID158272673
Molecular FormulaC137H148Cl4F17N35O23S
Molecular Weight3149.76 g/mol
Exact Mass3145.97
IUPAC Nameacetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine
SMILESC=CC(=O)Nc1cc(Cc2nccc(-n3c(=O)n(CC(F)(F)F)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)OC(=O)C=C.CC#N.CNCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1Cc1nccc(-n2c(=O)n(CC(F)(F)F)c3ccccc32)n1.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(N(C)CCN(C)C)c(N)cc1Cc1nccc(-n2c(=O)n(CC(F)(F)F)c3ccccc32)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Cc1nccc(-n2c(=O)n(CC(F)(F)F)c3ccccc32)n1.CS(=O)(=O)O.ClC(Cl)Cl.O=c1n(CC(F)(F)F)c2ccccc2n1-c1ccnc(Cl)n1
InChIInChI=1S/C29H32F3N7O3.C26H28F3N7O4.C26H30F3N7O2.C21H15F4N5O4.C13H8ClF3N4O.C7H7FN2O3.C6H6O3.C5H14N2.C2H3N.CHCl3.CH4O3S/c1-6-27(40)34-20-15-19(24(42-5)17-23(20)37(4)14-13-36(2)3)16-25-33-12-11-26(35-25)39-22-10-8-7-9-21(22)38(28(39)41)18-29(30,31)32;1-32(2)11-12-33(3)20-15-22(40-4)17(13-21(20)36(38)39)14-23-30-10-9-24(31-23)35-19-8-6-5-7-18(19)34(25(35)37)16-26(27,28)29;1-33(2)11-12-34(3)21-15-22(38-4)17(13-18(21)30)14-23-31-10-9-24(32-23)36-20-8-6-5-7-19(20)35(25(36)37)16-26(27,28)29;1-34-17-10-13(22)16(30(32)33)8-12(17)9-18-26-7-6-19(27-18)29-15-5-3-2-4-14(15)28(20(29)31)11-21(23,24)25;14-11-18-6-5-10(19-11)21-9-4-2-1-3-8(9)20(12(21)22)7-13(15,16)17;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-3-5(7)9-6(8)4-2;1-6-4-5-7(2)3;1-2-3;2-1(3)4;1-5(2,3)4/h6-12,15,17H,1,13-14,16,18H2,2-5H3,(H,34,40);5-10,13,15H,11-12,14,16H2,1-4H3;5-10,13,15H,11-12,14,16,30H2,1-4H3;2-8,10H,9,11H2,1H3;1-6H,7H2;2-3H,9H2,1H3;3-4H,1-2H2;6H,4-5H2,1-3H3;1H3;1H;1H3,(H,2,3,4)
InChIKeyZRIVFRBWOXZKTB-UHFFFAOYSA-N
XLogP20.97
TPSA676.50 Ų
H-Bond Donors5
H-Bond Acceptors53
Rotatable Bonds45
Heavy Atoms217
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003149.76
LogP ≤ 520.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze acetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine?
The IUPAC name of acetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine (CID 158272673) is acetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine.
What is the SMILES notation for acetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine?
The canonical SMILES for acetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine is C=CC(=O)Nc1cc(Cc2nccc(-n3c(=O)n(CC(F)(F)F)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)OC(=O)C=C.CC#N.CNCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1Cc1nccc(-n2c(=O)n(CC(F)(F)F)c3ccccc32)n1.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(N(C)CCN(C)C)c(N)cc1Cc1nccc(-n2c(=O)n(CC(F)(F)F)c3ccccc32)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Cc1nccc(-n2c(=O)n(CC(F)(F)F)c3ccccc32)n1.CS(=O)(=O)O.ClC(Cl)Cl.O=c1n(CC(F)(F)F)c2ccccc2n1-c1ccnc(Cl)n1.
What is the InChIKey of acetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine?
The InChIKey is ZRIVFRBWOXZKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N7O3.C26H28F3N7O4.C26H30F3N7O2.C21H15F4N5O4.C13H8ClF3N4O.C7H7FN2O3.C6H6O3.C5H14N2.C2H3N.CHCl3.CH4O3S/c1-6-27(40)34-20-15-19(24(42-5)17-23(20)37(4)14-13-36(2)3)16-25-33-12-11-26(35-25)39-22-10-8-7-9-21(22)38(28(39)41)18-29(30,31)32;1-32(2)11-12-33(3)20-15-22(40-4)17(13-21(20)36(38)39)14-23-30-10-9-24(31-23)35-19-8-6-5-7-18(19)34(25(35)37)16-26(27,28)29;1-33(2)11-12-34(3)21-15-22(38-4)17(13-18(21)30)14-23-31-10-9-24(32-23)36-20-8-6-5-7-19(20)35(25(36)37)16-26(27,28)29;1-34-17-10-13(22)16(30(32)33)8-12(17)9-18-26-7-6-19(27-18)29-15-5-3-2-4-14(15)28(20(29)31)11-21(23,24)25;14-11-18-6-5-10(19-11)21-9-4-2-1-3-8(9)20(12(21)22)7-13(15,16)17;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-3-5(7)9-6(8)4-2;1-6-4-5-7(2)3;1-2-3;2-1(3)4;1-5(2,3)4/h6-12,15,17H,1,13-14,16,18H2,2-5H3,(H,34,40);5-10,13,15H,11-12,14,16H2,1-4H3;5-10,13,15H,11-12,14,16,30H2,1-4H3;2-8,10H,9,11H2,1H3;1-6H,7H2;2-3H,9H2,1H3;3-4H,1-2H2;6H,4-5H2,1-3H3;1H3;1H;1H3,(H,2,3,4).
What are the key properties of acetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine?
acetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 3149.76 g/mol, XLogP of 20.97, 45 rotatable bonds, 5 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;1-[2-[[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;chloroform;1-(2-chloropyrimidin-4-yl)-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;1-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]methyl]phenyl]prop-2-enamide;4-fluoro-2-methoxy-5-nitroaniline;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 158272673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).