1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane

C130H119BrCl2FN19O23 — CID 159731999

IUPAC1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane
SMILESC.COC(OC)OC.ClCCBr.Nc1cccc(OCc2ccccc2)c1.O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(O)c1.O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(OCCCl)c1.O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(OCCOc2ccccn2)c1.O=C(O)c1ccc(F)c([N+](=O)[O-])c1.O=C(O)c1ccc(Nc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1.O=C(O)c1ccc2c(c1)ncn2-c1cccc(O)c1
InChIInChI=1S/C27H23N5O3.C22H19ClN4O2.C20H16N4O2.C20H16N2O5.C14H10N2O3.C13H13NO.C7H4FNO4.C4H10O3.C2H4BrCl.CH4/c33-27(30-18-20-5-4-11-28-17-20)21-9-10-25-24(15-21)31-19-32(25)22-6-3-7-23(16-22)34-13-14-35-26-8-1-2-12-29-26;23-8-10-29-19-5-1-4-18(12-19)27-15-26-20-11-17(6-7-21(20)27)22(28)25-14-16-3-2-9-24-13-16;25-17-5-1-4-16(10-17)24-13-23-18-9-15(6-7-19(18)24)20(26)22-12-14-3-2-8-21-11-14;23-20(24)15-9-10-18(19(11-15)22(25)26)21-16-7-4-8-17(12-16)27-13-14-5-2-1-3-6-14;17-11-3-1-2-10(7-11)16-8-15-12-6-9(14(18)19)4-5-13(12)16;14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11;8-5-2-1-4(7(10)11)3-6(5)9(12)13;1-5-4(6-2)7-3;3-1-2-4;/h1-12,15-17,19H,13-14,18H2,(H,30,33);1-7,9,11-13,15H,8,10,14H2,(H,25,28);1-11,13,25H,12H2,(H,22,26);1-12,21H,13H2,(H,23,24);1-8,17H,(H,18,19);1-9H,10,14H2;1-3H,(H,10,11);4H,1-3H3;1-2H2;1H4
InChIKeyNBIQDQKGNGMVFN-UHFFFAOYSA-N
MW2485.30 g/mol
LogP25.02
Rot. Bonds38

About 1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane

1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane (PubChem CID 159731999) has the molecular formula C130H119BrCl2FN19O23 and a molecular weight of 2485.30 g/mol. Its IUPAC name is 1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane.

Molecular Properties

Compound Name1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane
PubChem CID159731999
Molecular FormulaC130H119BrCl2FN19O23
Molecular Weight2485.30 g/mol
Exact Mass2481.73
IUPAC Name1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane
SMILESC.COC(OC)OC.ClCCBr.Nc1cccc(OCc2ccccc2)c1.O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(O)c1.O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(OCCCl)c1.O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(OCCOc2ccccn2)c1.O=C(O)c1ccc(F)c([N+](=O)[O-])c1.O=C(O)c1ccc(Nc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1.O=C(O)c1ccc2c(c1)ncn2-c1cccc(O)c1
InChIInChI=1S/C27H23N5O3.C22H19ClN4O2.C20H16N4O2.C20H16N2O5.C14H10N2O3.C13H13NO.C7H4FNO4.C4H10O3.C2H4BrCl.CH4/c33-27(30-18-20-5-4-11-28-17-20)21-9-10-25-24(15-21)31-19-32(25)22-6-3-7-23(16-22)34-13-14-35-26-8-1-2-12-29-26;23-8-10-29-19-5-1-4-18(12-19)27-15-26-20-11-17(6-7-21(20)27)22(28)25-14-16-3-2-9-24-13-16;25-17-5-1-4-16(10-17)24-13-23-18-9-15(6-7-19(18)24)20(26)22-12-14-3-2-8-21-11-14;23-20(24)15-9-10-18(19(11-15)22(25)26)21-16-7-4-8-17(12-16)27-13-14-5-2-1-3-6-14;17-11-3-1-2-10(7-11)16-8-15-12-6-9(14(18)19)4-5-13(12)16;14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11;8-5-2-1-4(7(10)11)3-6(5)9(12)13;1-5-4(6-2)7-3;3-1-2-4;/h1-12,15-17,19H,13-14,18H2,(H,30,33);1-7,9,11-13,15H,8,10,14H2,(H,25,28);1-11,13,25H,12H2,(H,22,26);1-12,21H,13H2,(H,23,24);1-8,17H,(H,18,19);1-9H,10,14H2;1-3H,(H,10,11);4H,1-3H3;1-2H2;1H4
InChIKeyNBIQDQKGNGMVFN-UHFFFAOYSA-N
XLogP25.02
TPSA560.67 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms176
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002485.30
LogP ≤ 525.02
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane 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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane?
The IUPAC name of 1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane (CID 159731999) is 1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane.
What is the SMILES notation for 1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane?
The canonical SMILES for 1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane is C.COC(OC)OC.ClCCBr.Nc1cccc(OCc2ccccc2)c1.O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(O)c1.O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(OCCCl)c1.O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(OCCOc2ccccn2)c1.O=C(O)c1ccc(F)c([N+](=O)[O-])c1.O=C(O)c1ccc(Nc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1.O=C(O)c1ccc2c(c1)ncn2-c1cccc(O)c1.
What is the InChIKey of 1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane?
The InChIKey is NBIQDQKGNGMVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3.C22H19ClN4O2.C20H16N4O2.C20H16N2O5.C14H10N2O3.C13H13NO.C7H4FNO4.C4H10O3.C2H4BrCl.CH4/c33-27(30-18-20-5-4-11-28-17-20)21-9-10-25-24(15-21)31-19-32(25)22-6-3-7-23(16-22)34-13-14-35-26-8-1-2-12-29-26;23-8-10-29-19-5-1-4-18(12-19)27-15-26-20-11-17(6-7-21(20)27)22(28)25-14-16-3-2-9-24-13-16;25-17-5-1-4-16(10-17)24-13-23-18-9-15(6-7-19(18)24)20(26)22-12-14-3-2-8-21-11-14;23-20(24)15-9-10-18(19(11-15)22(25)26)21-16-7-4-8-17(12-16)27-13-14-5-2-1-3-6-14;17-11-3-1-2-10(7-11)16-8-15-12-6-9(14(18)19)4-5-13(12)16;14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11;8-5-2-1-4(7(10)11)3-6(5)9(12)13;1-5-4(6-2)7-3;3-1-2-4;/h1-12,15-17,19H,13-14,18H2,(H,30,33);1-7,9,11-13,15H,8,10,14H2,(H,25,28);1-11,13,25H,12H2,(H,22,26);1-12,21H,13H2,(H,23,24);1-8,17H,(H,18,19);1-9H,10,14H2;1-3H,(H,10,11);4H,1-3H3;1-2H2;1H4.
What are the key properties of 1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane?
1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane has a molecular weight of 2485.30 g/mol, XLogP of 25.02, 38 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloroethane;1-[3-(2-chloroethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;1-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid;1-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;methane;3-nitro-4-(3-phenylmethoxyanilino)benzoic acid;3-phenylmethoxyaniline;N-(pyridin-3-ylmethyl)-1-[3-(2-pyridin-2-yloxyethoxy)phenyl]benzimidazole-5-carboxamide;trimethoxymethane is sourced from PubChem (CID 159731999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).