6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide

C128H144Br5Cl5F5N27O14S — CID 162143407

About 6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide

6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide (PubChem CID 162143407) has the molecular formula C128H144Br5Cl5F5N27O14S and a molecular weight of 2988.58 g/mol. Its IUPAC name is 6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide
• PubChem CID: 162143407
• Molecular Formula: C128H144Br5Cl5F5N27O14S
• Molecular Weight: 2988.58 g/mol
• Exact Mass: 2979.54
• IUPAC Name: 6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide
• SMILES: CN1CCN(CCCn2cnc3c(F)c(Nc4ccc(Br)cc4Cl)c(C(=O)NOCC4CC4)cc32)CC1.CS(=O)(=O)C1CCN(CCCn2cnc3c(F)c(Nc4ccc(Br)cc4Cl)c(C(=O)NOCC4CC4)cc32)C1.O=C(NOCC1CC1)c1cc2c(ncn2CC#CCN2CCOCC2)c(F)c1Nc1ccc(Br)cc1Cl.O=C(NOCC1CC1)c1cc2c(ncn2CCCN2CCC(O)C2)c(F)c1Nc1ccc(Br)cc1Cl.O=C(NOCC1CC1)c1cc2c(ncn2CCCN2CCNCC2)c(F)c1Nc1ccc(Br)cc1Cl
• InChI: InChI=1S/C26H31BrClFN6O2.C26H30BrClFN5O4S.C26H26BrClFN5O3.C25H29BrClFN6O2.C25H28BrClFN5O3/c1-33-9-11-34(12-10-33)7-2-8-35-16-30-25-22(35)14-19(26(36)32-37-15-17-3-4-17)24(23(25)29)31-21-6-5-18(27)13-20(21)28;1-39(36,37)18-7-10-33(13-18)8-2-9-34-15-30-25-22(34)12-19(26(35)32-38-14-16-3-4-16)24(23(25)29)31-21-6-5-17(27)11-20(21)28;27-18-5-6-21(20(28)13-18)31-24-19(26(35)32-37-15-17-3-4-17)14-22-25(23(24)29)30-16-34(22)8-2-1-7-33-9-11-36-12-10-33;26-17-4-5-20(19(27)12-17)31-23-18(25(35)32-36-14-16-2-3-16)13-21-24(22(23)28)30-15-34(21)9-1-8-33-10-6-29-7-11-33;26-16-4-5-20(19(27)10-16)30-23-18(25(35)31-36-13-15-2-3-15)11-21-24(22(23)28)29-14-33(21)8-1-7-32-9-6-17(34)12-32/h5-6,13-14,16-17,31H,2-4,7-12,15H2,1H3,(H,32,36);5-6,11-12,15-16,18,31H,2-4,7-10,13-14H2,1H3,(H,32,35);5-6,13-14,16-17,31H,3-4,7-12,15H2,(H,32,35);4-5,12-13,15-16,29,31H,1-3,6-11,14H2,(H,32,35);4-5,10-11,14-15,17,30,34H,1-3,6-9,12-13H2,(H,31,35)
• InChIKey: ZKFPIIDTKYFNMC-UHFFFAOYSA-N
• XLogP: 24.27
• TPSA: 435.97 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 49
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2988.58
LogP ≤ 5	24.27
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide?

The IUPAC name of 6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide (CID 162143407) is 6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide.

What is the SMILES notation for 6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide?

The canonical SMILES for 6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide is CN1CCN(CCCn2cnc3c(F)c(Nc4ccc(Br)cc4Cl)c(C(=O)NOCC4CC4)cc32)CC1.CS(=O)(=O)C1CCN(CCCn2cnc3c(F)c(Nc4ccc(Br)cc4Cl)c(C(=O)NOCC4CC4)cc32)C1.O=C(NOCC1CC1)c1cc2c(ncn2CC#CCN2CCOCC2)c(F)c1Nc1ccc(Br)cc1Cl.O=C(NOCC1CC1)c1cc2c(ncn2CCCN2CCC(O)C2)c(F)c1Nc1ccc(Br)cc1Cl.O=C(NOCC1CC1)c1cc2c(ncn2CCCN2CCNCC2)c(F)c1Nc1ccc(Br)cc1Cl.

What is the InChIKey of 6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide?

The InChIKey is ZKFPIIDTKYFNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31BrClFN6O2.C26H30BrClFN5O4S.C26H26BrClFN5O3.C25H29BrClFN6O2.C25H28BrClFN5O3/c1-33-9-11-34(12-10-33)7-2-8-35-16-30-25-22(35)14-19(26(36)32-37-15-17-3-4-17)24(23(25)29)31-21-6-5-18(27)13-20(21)28;1-39(36,37)18-7-10-33(13-18)8-2-9-34-15-30-25-22(34)12-19(26(35)32-38-14-16-3-4-16)24(23(25)29)31-21-6-5-17(27)11-20(21)28;27-18-5-6-21(20(28)13-18)31-24-19(26(35)32-37-15-17-3-4-17)14-22-25(23(24)29)30-16-34(22)8-2-1-7-33-9-11-36-12-10-33;26-17-4-5-20(19(27)12-17)31-23-18(25(35)32-36-14-16-2-3-16)13-21-24(22(23)28)30-15-34(21)9-1-8-33-10-6-29-7-11-33;26-16-4-5-20(19(27)10-16)30-23-18(25(35)31-36-13-15-2-3-15)11-21-24(22(23)28)29-14-33(21)8-1-7-32-9-6-17(34)12-32/h5-6,13-14,16-17,31H,2-4,7-12,15H2,1H3,(H,32,36);5-6,11-12,15-16,18,31H,2-4,7-10,13-14H2,1H3,(H,32,35);5-6,13-14,16-17,31H,3-4,7-12,15H2,(H,32,35);4-5,12-13,15-16,29,31H,1-3,6-11,14H2,(H,32,35);4-5,10-11,14-15,17,30,34H,1-3,6-9,12-13H2,(H,31,35).

What are the key properties of 6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide?

6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide has a molecular weight of 2988.58 g/mol, XLogP of 24.27, 49 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-hydroxypyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(3-methylsulfonylpyrrolidin-1-yl)propyl]benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-morpholin-4-ylbut-2-ynyl)benzimidazole-5-carboxamide;6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 162143407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).