4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate

C110H88N16O16 — CID 157211848

IUPAC4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1OC.COc1cc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1C#N.COc1cc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1C(=O)O.COc1cc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1O.COc1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1OC
InChIInChI=1S/C23H19N3O4.C22H16N4O2.C22H17N3O4.C22H19N3O3.C21H17N3O3/c1-29-21-12-15(10-11-18(21)23(28)30-2)22(27)25-16-6-5-7-17(13-16)26-14-24-19-8-3-4-9-20(19)26;1-28-21-11-15(9-10-16(21)13-23)22(27)25-17-5-4-6-18(12-17)26-14-24-19-7-2-3-8-20(19)26;1-29-20-11-14(9-10-17(20)22(27)28)21(26)24-15-5-4-6-16(12-15)25-13-23-18-7-2-3-8-19(18)25;1-27-20-11-10-15(12-21(20)28-2)22(26)24-16-6-5-7-17(13-16)25-14-23-18-8-3-4-9-19(18)25;1-27-20-11-14(9-10-19(20)25)21(26)23-15-5-4-6-16(12-15)24-13-22-17-7-2-3-8-18(17)24/h3-14H,1-2H3,(H,25,27);2-12,14H,1H3,(H,25,27);2-13H,1H3,(H,24,26)(H,27,28);3-14H,1-2H3,(H,24,26);2-13,25H,1H3,(H,23,26)
InChIKeyARZCKHHEOGLFER-UHFFFAOYSA-N
MW1890.01 g/mol
LogP20.50
Rot. Bonds23

About 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate

4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate (PubChem CID 157211848) has the molecular formula C110H88N16O16 and a molecular weight of 1890.01 g/mol. Its IUPAC name is 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate.

Molecular Properties

Compound Name4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate
PubChem CID157211848
Molecular FormulaC110H88N16O16
Molecular Weight1890.01 g/mol
Exact Mass1888.66
IUPAC Name4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1OC.COc1cc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1C#N.COc1cc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1C(=O)O.COc1cc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1O.COc1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1OC
InChIInChI=1S/C23H19N3O4.C22H16N4O2.C22H17N3O4.C22H19N3O3.C21H17N3O3/c1-29-21-12-15(10-11-18(21)23(28)30-2)22(27)25-16-6-5-7-17(13-16)26-14-24-19-8-3-4-9-20(19)26;1-28-21-11-15(9-10-16(21)13-23)22(27)25-17-5-4-6-18(12-17)26-14-24-19-7-2-3-8-20(19)26;1-29-20-11-14(9-10-17(20)22(27)28)21(26)24-15-5-4-6-16(12-15)25-13-23-18-7-2-3-8-19(18)25;1-27-20-11-10-15(12-21(20)28-2)22(26)24-16-6-5-7-17(13-16)25-14-23-18-8-3-4-9-19(18)25;1-27-20-11-14(9-10-19(20)25)21(26)23-15-5-4-6-16(12-15)24-13-22-17-7-2-3-8-18(17)24/h3-14H,1-2H3,(H,25,27);2-12,14H,1H3,(H,25,27);2-13H,1H3,(H,24,26)(H,27,28);3-14H,1-2H3,(H,24,26);2-13,25H,1H3,(H,23,26)
InChIKeyARZCKHHEOGLFER-UHFFFAOYSA-N
XLogP20.50
TPSA397.60 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001890.01
LogP ≤ 520.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate?
The IUPAC name of 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate (CID 157211848) is 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate.
What is the SMILES notation for 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate?
The canonical SMILES for 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate is COC(=O)c1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1OC.COc1cc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1C#N.COc1cc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1C(=O)O.COc1cc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1O.COc1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1OC.
What is the InChIKey of 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate?
The InChIKey is ARZCKHHEOGLFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4.C22H16N4O2.C22H17N3O4.C22H19N3O3.C21H17N3O3/c1-29-21-12-15(10-11-18(21)23(28)30-2)22(27)25-16-6-5-7-17(13-16)26-14-24-19-8-3-4-9-20(19)26;1-28-21-11-15(9-10-16(21)13-23)22(27)25-17-5-4-6-18(12-17)26-14-24-19-7-2-3-8-20(19)26;1-29-20-11-14(9-10-17(20)22(27)28)21(26)24-15-5-4-6-16(12-15)25-13-23-18-7-2-3-8-19(18)25;1-27-20-11-10-15(12-21(20)28-2)22(26)24-16-6-5-7-17(13-16)25-14-23-18-8-3-4-9-19(18)25;1-27-20-11-14(9-10-19(20)25)21(26)23-15-5-4-6-16(12-15)24-13-22-17-7-2-3-8-18(17)24/h3-14H,1-2H3,(H,25,27);2-12,14H,1H3,(H,25,27);2-13H,1H3,(H,24,26)(H,27,28);3-14H,1-2H3,(H,24,26);2-13,25H,1H3,(H,23,26).
What are the key properties of 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate?
4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate has a molecular weight of 1890.01 g/mol, XLogP of 20.50, 23 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate is sourced from PubChem (CID 157211848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).