N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate

C72H51BrClF5N20O7 — CID 158652183

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate (PubChem CID 158652183) has the molecular formula C72H51BrClF5N20O7 and a molecular weight of 1518.68 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate.

Molecular Properties

• Compound Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate
• PubChem CID: 158652183
• Molecular Formula: C72H51BrClF5N20O7
• Molecular Weight: 1518.68 g/mol
• Exact Mass: 1516.30
• IUPAC Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate
• SMILES: COC(=O)c1cccc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc12.COc1cc(F)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c(F)c1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1c(F)cccc1Cl.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(CBr)cc1
• InChI: InChI=1S/C19H13F2N5O3.C18H14BrN5O.C18H13F2N5O2.C17H11ClFN5O/c1-29-19(28)9-4-2-7-12-15(9)25-17(23-12)16-13(8-22-26-16)24-18(27)14-10(20)5-3-6-11(14)21;19-9-11-5-7-12(8-6-11)18(25)23-15-10-20-24-16(15)17-21-13-3-1-2-4-14(13)22-17;1-27-9-6-10(19)15(11(20)7-9)18(26)24-14-8-21-25-16(14)17-22-12-4-2-3-5-13(12)23-17;18-9-4-3-5-10(19)14(9)17(25)23-13-8-20-24-15(13)16-21-11-6-1-2-7-12(11)22-16/h2-8H,1H3,(H,22,26)(H,23,25)(H,24,27);1-8,10H,9H2,(H,20,24)(H,21,22)(H,23,25);2-8H,1H3,(H,21,25)(H,22,23)(H,24,26);1-8H,(H,20,24)(H,21,22)(H,23,25)
• InChIKey: IBRORNHIQWYMOH-UHFFFAOYSA-N
• XLogP: 14.86
• TPSA: 381.37 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1518.68
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate?

The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate (CID 158652183) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate.

What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate?

The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate is COC(=O)c1cccc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc12.COc1cc(F)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c(F)c1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1c(F)cccc1Cl.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(CBr)cc1.

What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate?

The InChIKey is IBRORNHIQWYMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O3.C18H14BrN5O.C18H13F2N5O2.C17H11ClFN5O/c1-29-19(28)9-4-2-7-12-15(9)25-17(23-12)16-13(8-22-26-16)24-18(27)14-10(20)5-3-6-11(14)21;19-9-11-5-7-12(8-6-11)18(25)23-15-10-20-24-16(15)17-21-13-3-1-2-4-14(13)22-17;1-27-9-6-10(19)15(11(20)7-9)18(26)24-14-8-21-25-16(14)17-22-12-4-2-3-5-13(12)23-17;18-9-4-3-5-10(19)14(9)17(25)23-13-8-20-24-15(13)16-21-11-6-1-2-7-12(11)22-16/h2-8H,1H3,(H,22,26)(H,23,25)(H,24,27);1-8,10H,9H2,(H,20,24)(H,21,22)(H,23,25);2-8H,1H3,(H,21,25)(H,22,23)(H,24,26);1-8H,(H,20,24)(H,21,22)(H,23,25).

What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate?

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate has a molecular weight of 1518.68 g/mol, XLogP of 14.86, 15 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluoro-4-methoxybenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 158652183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).