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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate

C108H76BrClF8N30O12 — CID 161041183

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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate (PubChem CID 161041183) has the molecular formula C108H76BrClF8N30O12 and a molecular weight of 2253.33 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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate
• PubChem CID: 161041183
• Molecular Formula: C108H76BrClF8N30O12
• Molecular Weight: 2253.33 g/mol
• Exact Mass: 2250.50
• 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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;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.COc1cccc(F)c1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2c(CO)cccc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1c(F)cccc1Cl.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(CBr)cc1.O=C(O)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1
• InChI: InChI=1S/C19H13F2N5O3.C18H14BrN5O.C18H11F2N5O3.C18H13F2N5O2.C18H14FN5O2.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;19-9-2-1-3-10(20)14(9)17(26)24-13-7-21-25-15(13)16-22-11-5-4-8(18(27)28)6-12(11)23-16;19-10-4-2-5-11(20)14(10)18(27)23-13-7-21-25-16(13)17-22-12-6-1-3-9(8-26)15(12)24-17;1-26-14-8-4-5-10(19)15(14)18(25)23-13-9-20-24-16(13)17-21-11-6-2-3-7-12(11)22-17;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);1-7H,(H,21,25)(H,22,23)(H,24,26)(H,27,28);1-7,26H,8H2,(H,21,25)(H,22,24)(H,23,27);2-9H,1H3,(H,20,24)(H,21,22)(H,23,25);1-8H,(H,20,24)(H,21,22)(H,23,25)
• InChIKey: UAXCVHBKUQMDNM-UHFFFAOYSA-N
• XLogP: 20.88
• TPSA: 611.82 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2253.33
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	23

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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate (CID 161041183) 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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;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.COc1cccc(F)c1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2c(CO)cccc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1c(F)cccc1Cl.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(CBr)cc1.O=C(O)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.

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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate?

The InChIKey is UAXCVHBKUQMDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O3.C18H14BrN5O.C18H11F2N5O3.C18H13F2N5O2.C18H14FN5O2.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;19-9-2-1-3-10(20)14(9)17(26)24-13-7-21-25-15(13)16-22-11-5-4-8(18(27)28)6-12(11)23-16;19-10-4-2-5-11(20)14(10)18(27)23-13-7-21-25-16(13)17-22-12-6-1-3-9(8-26)15(12)24-17;1-26-14-8-4-5-10(19)15(14)18(25)23-13-9-20-24-16(13)17-21-11-6-2-3-7-12(11)22-17;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);1-7H,(H,21,25)(H,22,23)(H,24,26)(H,27,28);1-7,26H,8H2,(H,21,25)(H,22,24)(H,23,27);2-9H,1H3,(H,20,24)(H,21,22)(H,23,25);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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate has a molecular weight of 2253.33 g/mol, XLogP of 20.88, 23 rotatable bonds, 20 hydrogen bond donors, and 23 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-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 161041183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).