4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane

C184H188BrCl2F3N34O13Sn — CID 167700483

IUPAC4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane
SMILESCN.CNc1cc(Cn2cnc(-c3ccccc3)c2C2CC2)ccc1N.CNc1cc(Cn2cnc(-c3ccccc3)c2C2CC2)ccc1[N+](=O)[O-].CNc1cc(Cn2cnc(C3CC3)c2-c2ccccc2)ccc1N.CNc1cc(Cn2cnc(C3CC3)c2-c2ccccc2)ccc1[N+](=O)[O-].COC(OC)OC.Cl[Sn]Cl.Cn1cnc2ccc(Cn3cnc(-c4ccccc4)c3C3CC3)cc21.Cn1cnc2ccc(Cn3cnc(C4CC4)c3-c3ccccc3)cc21.O=[N+]([O-])c1ccc(CBr)cc1F.O=[N+]([O-])c1ccc(Cn2cnc(-c3ccccc3)c2C2CC2)cc1F.O=[N+]([O-])c1ccc(Cn2cnc(C3CC3)c2-c2ccccc2)cc1F.c1ccc(-c2nc[nH]c2C2CC2)cc1
InChIInChI=1S/2C21H20N4.2C20H20N4O2.2C20H22N4.2C19H16FN3O2.C12H12N2.C7H5BrFNO2.C4H10O3.CH5N.2ClH.Sn/c1-24-13-22-18-10-7-15(11-19(18)24)12-25-14-23-20(16-8-9-16)21(25)17-5-3-2-4-6-17;1-24-13-22-18-10-7-15(11-19(18)24)12-25-14-23-20(21(25)17-8-9-17)16-5-3-2-4-6-16;1-21-17-11-14(7-10-18(17)24(25)26)12-23-13-22-19(15-8-9-15)20(23)16-5-3-2-4-6-16;1-21-17-11-14(7-10-18(17)24(25)26)12-23-13-22-19(20(23)16-8-9-16)15-5-3-2-4-6-15;1-22-18-11-14(7-10-17(18)21)12-24-13-23-19(15-8-9-15)20(24)16-5-3-2-4-6-16;1-22-18-11-14(7-10-17(18)21)12-24-13-23-19(20(24)16-8-9-16)15-5-3-2-4-6-15;20-16-10-13(6-9-17(16)23(24)25)11-22-12-21-18(14-7-8-14)19(22)15-4-2-1-3-5-15;20-16-10-13(6-9-17(16)23(24)25)11-22-12-21-18(19(22)15-7-8-15)14-4-2-1-3-5-14;1-2-4-9(5-3-1)11-12(10-6-7-10)14-8-13-11;8-4-5-1-2-7(10(11)12)6(9)3-5;1-5-4(6-2)7-3;1-2;;;/h2-7,10-11,13-14,16H,8-9,12H2,1H3;2-7,10-11,13-14,17H,8-9,12H2,1H3;2-7,10-11,13,15,21H,8-9,12H2,1H3;2-7,10-11,13,16,21H,8-9,12H2,1H3;2-7,10-11,13,15,22H,8-9,12,21H2,1H3;2-7,10-11,13,16,22H,8-9,12,21H2,1H3;1-6,9-10,12,14H,7-8,11H2;1-6,9-10,12,15H,7-8,11H2;1-5,8,10H,6-7H2,(H,13,14);1-3H,4H2;4H,1-3H3;2H2,1H3;2*1H;/q;;;;;;;;;;;;;;+2/p-2
InChIKeyYHOFYEXEMSVIKJ-UHFFFAOYSA-L
MW3410.27 g/mol
LogP41.19
Rot. Bonds47

About 4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane

4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane (PubChem CID 167700483) has the molecular formula C184H188BrCl2F3N34O13Sn and a molecular weight of 3410.27 g/mol. Its IUPAC name is 4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane.

Molecular Properties

Compound Name4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane
PubChem CID167700483
Molecular FormulaC184H188BrCl2F3N34O13Sn
Molecular Weight3410.27 g/mol
Exact Mass3407.26
IUPAC Name4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane
SMILESCN.CNc1cc(Cn2cnc(-c3ccccc3)c2C2CC2)ccc1N.CNc1cc(Cn2cnc(-c3ccccc3)c2C2CC2)ccc1[N+](=O)[O-].CNc1cc(Cn2cnc(C3CC3)c2-c2ccccc2)ccc1N.CNc1cc(Cn2cnc(C3CC3)c2-c2ccccc2)ccc1[N+](=O)[O-].COC(OC)OC.Cl[Sn]Cl.Cn1cnc2ccc(Cn3cnc(-c4ccccc4)c3C3CC3)cc21.Cn1cnc2ccc(Cn3cnc(C4CC4)c3-c3ccccc3)cc21.O=[N+]([O-])c1ccc(CBr)cc1F.O=[N+]([O-])c1ccc(Cn2cnc(-c3ccccc3)c2C2CC2)cc1F.O=[N+]([O-])c1ccc(Cn2cnc(C3CC3)c2-c2ccccc2)cc1F.c1ccc(-c2nc[nH]c2C2CC2)cc1
InChIInChI=1S/2C21H20N4.2C20H20N4O2.2C20H22N4.2C19H16FN3O2.C12H12N2.C7H5BrFNO2.C4H10O3.CH5N.2ClH.Sn/c1-24-13-22-18-10-7-15(11-19(18)24)12-25-14-23-20(16-8-9-16)21(25)17-5-3-2-4-6-17;1-24-13-22-18-10-7-15(11-19(18)24)12-25-14-23-20(21(25)17-8-9-17)16-5-3-2-4-6-16;1-21-17-11-14(7-10-18(17)24(25)26)12-23-13-22-19(15-8-9-15)20(23)16-5-3-2-4-6-16;1-21-17-11-14(7-10-18(17)24(25)26)12-23-13-22-19(20(23)16-8-9-16)15-5-3-2-4-6-15;1-22-18-11-14(7-10-17(18)21)12-24-13-23-19(15-8-9-15)20(24)16-5-3-2-4-6-16;1-22-18-11-14(7-10-17(18)21)12-24-13-23-19(20(24)16-8-9-16)15-5-3-2-4-6-15;20-16-10-13(6-9-17(16)23(24)25)11-22-12-21-18(14-7-8-14)19(22)15-4-2-1-3-5-15;20-16-10-13(6-9-17(16)23(24)25)11-22-12-21-18(19(22)15-7-8-15)14-4-2-1-3-5-14;1-2-4-9(5-3-1)11-12(10-6-7-10)14-8-13-11;8-4-5-1-2-7(10(11)12)6(9)3-5;1-5-4(6-2)7-3;1-2;;;/h2-7,10-11,13-14,16H,8-9,12H2,1H3;2-7,10-11,13-14,17H,8-9,12H2,1H3;2-7,10-11,13,15,21H,8-9,12H2,1H3;2-7,10-11,13,16,21H,8-9,12H2,1H3;2-7,10-11,13,15,22H,8-9,12,21H2,1H3;2-7,10-11,13,16,22H,8-9,12,21H2,1H3;1-6,9-10,12,14H,7-8,11H2;1-6,9-10,12,15H,7-8,11H2;1-5,8,10H,6-7H2,(H,13,14);1-3H,4H2;4H,1-3H3;2H2,1H3;2*1H;/q;;;;;;;;;;;;;;+2/p-2
InChIKeyYHOFYEXEMSVIKJ-UHFFFAOYSA-L
XLogP41.19
TPSA576.45 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds47
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003410.27
LogP ≤ 541.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane?
The IUPAC name of 4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane (CID 167700483) is 4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane.
What is the SMILES notation for 4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane?
The canonical SMILES for 4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane is CN.CNc1cc(Cn2cnc(-c3ccccc3)c2C2CC2)ccc1N.CNc1cc(Cn2cnc(-c3ccccc3)c2C2CC2)ccc1[N+](=O)[O-].CNc1cc(Cn2cnc(C3CC3)c2-c2ccccc2)ccc1N.CNc1cc(Cn2cnc(C3CC3)c2-c2ccccc2)ccc1[N+](=O)[O-].COC(OC)OC.Cl[Sn]Cl.Cn1cnc2ccc(Cn3cnc(-c4ccccc4)c3C3CC3)cc21.Cn1cnc2ccc(Cn3cnc(C4CC4)c3-c3ccccc3)cc21.O=[N+]([O-])c1ccc(CBr)cc1F.O=[N+]([O-])c1ccc(Cn2cnc(-c3ccccc3)c2C2CC2)cc1F.O=[N+]([O-])c1ccc(Cn2cnc(C3CC3)c2-c2ccccc2)cc1F.c1ccc(-c2nc[nH]c2C2CC2)cc1.
What is the InChIKey of 4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane?
The InChIKey is YHOFYEXEMSVIKJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H20N4.2C20H20N4O2.2C20H22N4.2C19H16FN3O2.C12H12N2.C7H5BrFNO2.C4H10O3.CH5N.2ClH.Sn/c1-24-13-22-18-10-7-15(11-19(18)24)12-25-14-23-20(16-8-9-16)21(25)17-5-3-2-4-6-17;1-24-13-22-18-10-7-15(11-19(18)24)12-25-14-23-20(21(25)17-8-9-17)16-5-3-2-4-6-16;1-21-17-11-14(7-10-18(17)24(25)26)12-23-13-22-19(15-8-9-15)20(23)16-5-3-2-4-6-16;1-21-17-11-14(7-10-18(17)24(25)26)12-23-13-22-19(20(23)16-8-9-16)15-5-3-2-4-6-15;1-22-18-11-14(7-10-17(18)21)12-24-13-23-19(15-8-9-15)20(24)16-5-3-2-4-6-16;1-22-18-11-14(7-10-17(18)21)12-24-13-23-19(20(24)16-8-9-16)15-5-3-2-4-6-15;20-16-10-13(6-9-17(16)23(24)25)11-22-12-21-18(14-7-8-14)19(22)15-4-2-1-3-5-15;20-16-10-13(6-9-17(16)23(24)25)11-22-12-21-18(19(22)15-7-8-15)14-4-2-1-3-5-14;1-2-4-9(5-3-1)11-12(10-6-7-10)14-8-13-11;8-4-5-1-2-7(10(11)12)6(9)3-5;1-5-4(6-2)7-3;1-2;;;/h2-7,10-11,13-14,16H,8-9,12H2,1H3;2-7,10-11,13-14,17H,8-9,12H2,1H3;2-7,10-11,13,15,21H,8-9,12H2,1H3;2-7,10-11,13,16,21H,8-9,12H2,1H3;2-7,10-11,13,15,22H,8-9,12,21H2,1H3;2-7,10-11,13,16,22H,8-9,12,21H2,1H3;1-6,9-10,12,14H,7-8,11H2;1-6,9-10,12,15H,7-8,11H2;1-5,8,10H,6-7H2,(H,13,14);1-3H,4H2;4H,1-3H3;2H2,1H3;2*1H;/q;;;;;;;;;;;;;;+2/p-2.
What are the key properties of 4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane?
4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane has a molecular weight of 3410.27 g/mol, XLogP of 41.19, 47 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-fluoro-1-nitrobenzene;4-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-5-phenylimidazole;5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]-4-phenylimidazole;5-cyclopropyl-4-phenyl-1H-imidazole;4-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;6-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-cyclopropyl-5-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;5-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;dichlorotin;methanamine;trimethoxymethane is sourced from PubChem (CID 167700483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).