tert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium

C96H108Cl5F4IN12O16P2S2Ti2-2 — CID 157495283

IUPACtert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium
SMILESC.C.C.C.C.C.C.C.COc1cc(C(O)c2c[n-]c3ncccc23)c(F)cc1OCc1nc2cc(Cl)ccc2n1C(=O)OC(C)(C)C.COc1cc(C=O)c(F)cc1O.COc1cc(C=O)c(F)cc1OCc1nc2cc(Cl)ccc2n1C(=O)OC(C)(C)C.COc1cc(C=O)c(F)cc1OCc1nc2ccc(Cl)cc2[nH]1.ClCc1nc2ccc(Cl)cc2[nH]1.Ic1c[n-]c2ncccc12.P=S.P=S.[Ti].[Ti]
InChIInChI=1S/C28H25ClFN4O5.C21H20ClFN2O5.C16H12ClFN2O3.C8H6Cl2N2.C8H7FO3.C7H4IN2.8CH4.2HPS.2Ti/c1-28(2,3)39-27(36)34-21-8-7-15(29)10-20(21)33-24(34)14-38-23-12-19(30)17(11-22(23)37-4)25(35)18-13-32-26-16(18)6-5-9-31-26;1-21(2,3)30-20(27)25-16-6-5-13(22)8-15(16)24-19(25)11-29-18-9-14(23)12(10-26)7-17(18)28-4;1-22-14-4-9(7-21)11(18)6-15(14)23-8-16-19-12-3-2-10(17)5-13(12)20-16;9-4-8-11-6-2-1-5(10)3-7(6)12-8;1-12-8-2-5(4-10)6(9)3-7(8)11;8-6-4-10-7-5(6)2-1-3-9-7;;;;;;;;;2*1-2;;/h5-13,25,35H,14H2,1-4H3;5-10H,11H2,1-4H3;2-7H,8H2,1H3,(H,19,20);1-3H,4H2,(H,11,12);2-4,11H,1H3;1-4H;8*1H4;2*1H;;/q-1;;;;;-1;;;;;;;;;;;;
InChIKeyXBXNQMGUYYOIDG-UHFFFAOYSA-N
MW2287.96 g/mol
LogP26.92
Rot. Bonds19

About tert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium

tert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium (PubChem CID 157495283) has the molecular formula C96H108Cl5F4IN12O16P2S2Ti2-2 and a molecular weight of 2287.96 g/mol. Its IUPAC name is tert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium.

Molecular Properties

Compound Nametert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium
PubChem CID157495283
Molecular FormulaC96H108Cl5F4IN12O16P2S2Ti2-2
Molecular Weight2287.96 g/mol
Exact Mass2284.33
IUPAC Nametert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium
SMILESC.C.C.C.C.C.C.C.COc1cc(C(O)c2c[n-]c3ncccc23)c(F)cc1OCc1nc2cc(Cl)ccc2n1C(=O)OC(C)(C)C.COc1cc(C=O)c(F)cc1O.COc1cc(C=O)c(F)cc1OCc1nc2cc(Cl)ccc2n1C(=O)OC(C)(C)C.COc1cc(C=O)c(F)cc1OCc1nc2ccc(Cl)cc2[nH]1.ClCc1nc2ccc(Cl)cc2[nH]1.Ic1c[n-]c2ncccc12.P=S.P=S.[Ti].[Ti]
InChIInChI=1S/C28H25ClFN4O5.C21H20ClFN2O5.C16H12ClFN2O3.C8H6Cl2N2.C8H7FO3.C7H4IN2.8CH4.2HPS.2Ti/c1-28(2,3)39-27(36)34-21-8-7-15(29)10-20(21)33-24(34)14-38-23-12-19(30)17(11-22(23)37-4)25(35)18-13-32-26-16(18)6-5-9-31-26;1-21(2,3)30-20(27)25-16-6-5-13(22)8-15(16)24-19(25)11-29-18-9-14(23)12(10-26)7-17(18)28-4;1-22-14-4-9(7-21)11(18)6-15(14)23-8-16-19-12-3-2-10(17)5-13(12)20-16;9-4-8-11-6-2-1-5(10)3-7(6)12-8;1-12-8-2-5(4-10)6(9)3-7(8)11;8-6-4-10-7-5(6)2-1-3-9-7;;;;;;;;;2*1-2;;/h5-13,25,35H,14H2,1-4H3;5-10H,11H2,1-4H3;2-7H,8H2,1H3,(H,19,20);1-3H,4H2,(H,11,12);2-4,11H,1H3;1-4H;8*1H4;2*1H;;/q-1;;;;;-1;;;;;;;;;;;;
InChIKeyXBXNQMGUYYOIDG-UHFFFAOYSA-N
XLogP26.92
TPSA355.86 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002287.96
LogP ≤ 526.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium
CID 158087310
4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane
CID 158387709
5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane
CID 158910330
3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;[4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;2-[[2-fluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole
CID 159719095
[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-methoxymethyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-methoxymethyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;2-[[5-fluoro-2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole
CID 159795571
tert-butyl 2-[[4-[(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-hydroxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-5-(dimethylsulfamoyl)benzimidazole-1-carboxylate;tert-butyl 5-(dimethylsulfamoyl)-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;2-(chloromethyl)-N,N-dimethyl-3H-benzimidazole-5-sulfonamide;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide;2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane;sulfanylidenephosphane;titanium
CID 160685133
[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-methoxymethyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-methoxymethyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;2-[[5-fluoro-2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole
CID 161168883

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium?
The IUPAC name of tert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium (CID 157495283) is tert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium.
What is the SMILES notation for tert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium?
The canonical SMILES for tert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium is C.C.C.C.C.C.C.C.COc1cc(C(O)c2c[n-]c3ncccc23)c(F)cc1OCc1nc2cc(Cl)ccc2n1C(=O)OC(C)(C)C.COc1cc(C=O)c(F)cc1O.COc1cc(C=O)c(F)cc1OCc1nc2cc(Cl)ccc2n1C(=O)OC(C)(C)C.COc1cc(C=O)c(F)cc1OCc1nc2ccc(Cl)cc2[nH]1.ClCc1nc2ccc(Cl)cc2[nH]1.Ic1c[n-]c2ncccc12.P=S.P=S.[Ti].[Ti].
What is the InChIKey of tert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium?
The InChIKey is XBXNQMGUYYOIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClFN4O5.C21H20ClFN2O5.C16H12ClFN2O3.C8H6Cl2N2.C8H7FO3.C7H4IN2.8CH4.2HPS.2Ti/c1-28(2,3)39-27(36)34-21-8-7-15(29)10-20(21)33-24(34)14-38-23-12-19(30)17(11-22(23)37-4)25(35)18-13-32-26-16(18)6-5-9-31-26;1-21(2,3)30-20(27)25-16-6-5-13(22)8-15(16)24-19(25)11-29-18-9-14(23)12(10-26)7-17(18)28-4;1-22-14-4-9(7-21)11(18)6-15(14)23-8-16-19-12-3-2-10(17)5-13(12)20-16;9-4-8-11-6-2-1-5(10)3-7(6)12-8;1-12-8-2-5(4-10)6(9)3-7(8)11;8-6-4-10-7-5(6)2-1-3-9-7;;;;;;;;;2*1-2;;/h5-13,25,35H,14H2,1-4H3;5-10H,11H2,1-4H3;2-7H,8H2,1H3,(H,19,20);1-3H,4H2,(H,11,12);2-4,11H,1H3;1-4H;8*1H4;2*1H;;/q-1;;;;;-1;;;;;;;;;;;;.
What are the key properties of tert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium?
tert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium has a molecular weight of 2287.96 g/mol, XLogP of 26.92, 19 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-chloro-2-[(5-fluoro-4-formyl-2-methoxyphenoxy)methyl]benzimidazole-1-carboxylate;tert-butyl 5-chloro-2-[[5-fluoro-4-[hydroxy(pyrrolo[2,3-b]pyridin-1-id-3-yl)methyl]-2-methoxyphenoxy]methyl]benzimidazole-1-carboxylate;4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;6-chloro-2-(chloromethyl)-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;3-iodopyrrolo[2,3-b]pyridin-1-ide;methane;sulfanylidenephosphane;titanium is sourced from PubChem (CID 157495283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).