N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide

C147H174Cl4N24O18 — CID 157340066

About N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide

N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide (PubChem CID 157340066) has the molecular formula C147H174Cl4N24O18 and a molecular weight of 2706.97 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide
• PubChem CID: 157340066
• Molecular Formula: C147H174Cl4N24O18
• Molecular Weight: 2706.97 g/mol
• Exact Mass: 2703.22
• IUPAC Name: N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide
• SMILES: C=CC(=O)N1CCCCC(n2c(NC(=O)c3cccc(C)c3)nc3cc(CC(C)=O)cc(Cl)c32)C1.C=CC(=O)N1CCCCC(n2c(NC(=O)c3cccc(C)c3)nc3cc(N4CCN(C(C)=O)CC4)cc(Cl)c32)C1.C=CC(=O)N1CCCCC(n2c(NC(=O)c3cccc(C)c3)nc3ccc(OCCOC)c(OCCOC)c32)C1.C=CC(=O)N1CCCCC(n2c(NC(=O)c3ccccc3)nc3cc(OC4CCN(CC)CC4)cc(Cl)c32)C1.C=CC(=O)N1CCCCC(n2c(NC(=O)c3ccccc3)nc3ccc(OC4CCN(CC)CC4)c(Cl)c32)C1
• InChI: InChI=1S/C30H35ClN6O3.2C30H36ClN5O3.C30H38N4O6.C27H29ClN4O3/c1-4-27(39)36-11-6-5-10-23(19-36)37-28-25(31)17-24(35-14-12-34(13-15-35)21(3)38)18-26(28)32-30(37)33-29(40)22-9-7-8-20(2)16-22;1-3-27(37)35-15-9-8-12-22(20-35)36-28-25(31)18-24(39-23-13-16-34(4-2)17-14-23)19-26(28)32-30(36)33-29(38)21-10-6-5-7-11-21;1-3-26(37)35-17-9-8-12-22(20-35)36-28-24(32-30(36)33-29(38)21-10-6-5-7-11-21)13-14-25(27(28)31)39-23-15-18-34(4-2)19-16-23;1-5-26(35)33-14-7-6-11-23(20-33)34-27-24(31-30(34)32-29(36)22-10-8-9-21(2)19-22)12-13-25(39-17-15-37-3)28(27)40-18-16-38-4;1-4-24(34)31-11-6-5-10-21(16-31)32-25-22(28)14-19(13-18(3)33)15-23(25)29-27(32)30-26(35)20-9-7-8-17(2)12-20/h4,7-9,16-18,23H,1,5-6,10-15,19H2,2-3H3,(H,32,33,40);3,5-7,10-11,18-19,22-23H,1,4,8-9,12-17,20H2,2H3,(H,32,33,38);3,5-7,10-11,13-14,22-23H,1,4,8-9,12,15-20H2,2H3,(H,32,33,38);5,8-10,12-13,19,23H,1,6-7,11,14-18,20H2,2-4H3,(H,31,32,36);4,7-9,12,14-15,21H,1,5-6,10-11,13,16H2,2-3H3,(H,29,30,35)
• InChIKey: BGHHNJOYTZGAOB-UHFFFAOYSA-N
• XLogP: 25.26
• TPSA: 438.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 37
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2706.97
LogP ≤ 5	25.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide?

The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide (CID 157340066) is N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide.

What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide?

The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide is C=CC(=O)N1CCCCC(n2c(NC(=O)c3cccc(C)c3)nc3cc(CC(C)=O)cc(Cl)c32)C1.C=CC(=O)N1CCCCC(n2c(NC(=O)c3cccc(C)c3)nc3cc(N4CCN(C(C)=O)CC4)cc(Cl)c32)C1.C=CC(=O)N1CCCCC(n2c(NC(=O)c3cccc(C)c3)nc3ccc(OCCOC)c(OCCOC)c32)C1.C=CC(=O)N1CCCCC(n2c(NC(=O)c3ccccc3)nc3cc(OC4CCN(CC)CC4)cc(Cl)c32)C1.C=CC(=O)N1CCCCC(n2c(NC(=O)c3ccccc3)nc3ccc(OC4CCN(CC)CC4)c(Cl)c32)C1.

What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide?

The InChIKey is BGHHNJOYTZGAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN6O3.2C30H36ClN5O3.C30H38N4O6.C27H29ClN4O3/c1-4-27(39)36-11-6-5-10-23(19-36)37-28-25(31)17-24(35-14-12-34(13-15-35)21(3)38)18-26(28)32-30(37)33-29(40)22-9-7-8-20(2)16-22;1-3-27(37)35-15-9-8-12-22(20-35)36-28-25(31)18-24(39-23-13-16-34(4-2)17-14-23)19-26(28)32-30(36)33-29(38)21-10-6-5-7-11-21;1-3-26(37)35-17-9-8-12-22(20-35)36-28-24(32-30(36)33-29(38)21-10-6-5-7-11-21)13-14-25(27(28)31)39-23-15-18-34(4-2)19-16-23;1-5-26(35)33-14-7-6-11-23(20-33)34-27-24(31-30(34)32-29(36)22-10-8-9-21(2)19-22)12-13-25(39-17-15-37-3)28(27)40-18-16-38-4;1-4-24(34)31-11-6-5-10-21(16-31)32-25-22(28)14-19(13-18(3)33)15-23(25)29-27(32)30-26(35)20-9-7-8-17(2)12-20/h4,7-9,16-18,23H,1,5-6,10-15,19H2,2-3H3,(H,32,33,40);3,5-7,10-11,18-19,22-23H,1,4,8-9,12-17,20H2,2H3,(H,32,33,38);3,5-7,10-11,13-14,22-23H,1,4,8-9,12,15-20H2,2H3,(H,32,33,38);5,8-10,12-13,19,23H,1,6-7,11,14-18,20H2,2-4H3,(H,31,32,36);4,7-9,12,14-15,21H,1,5-6,10-11,13,16H2,2-3H3,(H,29,30,35).

What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide?

N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide has a molecular weight of 2706.97 g/mol, XLogP of 25.26, 37 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-acetylpiperazin-1-yl)-7-chloro-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[6,7-bis(2-methoxyethoxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide;N-[7-chloro-5-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide;N-[7-chloro-5-(2-oxopropyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-3-methylbenzamide is sourced from PubChem (CID 157340066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).