3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide

C150H150Br2Cl7F2I4N21O7S — CID 158358775

About 3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide

3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide (PubChem CID 158358775) has the molecular formula C150H150Br2Cl7F2I4N21O7S and a molecular weight of 3344.65 g/mol. Its IUPAC name is 3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide
• PubChem CID: 158358775
• Molecular Formula: C150H150Br2Cl7F2I4N21O7S
• Molecular Weight: 3344.65 g/mol
• Exact Mass: 3337.41
• IUPAC Name: 3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide
• SMILES: C=CCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1ccc(F)c(Br)c1.C=CCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1cccc(I)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1ccc(C)s1.CCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1ccc(F)c(Br)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1cccc(I)c1.CCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1cccc(I)c1.CN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1cccc(I)c1
• InChI: InChI=1S/C22H22BrClFN3O.C22H20BrClFN3O.C22H23ClIN3O.C22H21ClIN3O.C21H21ClIN3O.C21H24ClN3OS.C20H19ClIN3O/c2*1-2-9-27(22(29)15-5-7-18(25)17(23)10-15)13-21-26-19-8-6-16(24)11-20(19)28(21)12-14-3-4-14;2*1-2-10-26(22(28)16-4-3-5-18(24)11-16)14-21-25-19-9-8-17(23)12-20(19)27(21)13-15-6-7-15;1-2-25(21(27)15-4-3-5-17(23)10-15)13-20-24-18-9-8-16(22)11-19(18)26(20)12-14-6-7-14;1-3-10-24(21(26)19-9-4-14(2)27-19)13-20-23-17-8-7-16(22)11-18(17)25(20)12-15-5-6-15;1-24(20(26)14-3-2-4-16(22)9-14)12-19-23-17-8-7-15(21)10-18(17)25(19)11-13-5-6-13/h5-8,10-11,14H,2-4,9,12-13H2,1H3;2,5-8,10-11,14H,1,3-4,9,12-13H2;3-5,8-9,11-12,15H,2,6-7,10,13-14H2,1H3;2-5,8-9,11-12,15H,1,6-7,10,13-14H2;3-5,8-11,14H,2,6-7,12-13H2,1H3;4,7-9,11,15H,3,5-6,10,12-13H2,1-2H3;2-4,7-10,13H,5-6,11-12H2,1H3
• InChIKey: GTFDPCSBWIGTON-UHFFFAOYSA-N
• XLogP: 39.04
• TPSA: 266.91 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 46
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3344.65
LogP ≤ 5	39.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide?

The IUPAC name of 3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide (CID 158358775) is 3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide.

What is the SMILES notation for 3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide?

The canonical SMILES for 3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide is C=CCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1ccc(F)c(Br)c1.C=CCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1cccc(I)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1ccc(C)s1.CCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1ccc(F)c(Br)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1cccc(I)c1.CCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1cccc(I)c1.CN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1cccc(I)c1.

What is the InChIKey of 3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide?

The InChIKey is GTFDPCSBWIGTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrClFN3O.C22H20BrClFN3O.C22H23ClIN3O.C22H21ClIN3O.C21H21ClIN3O.C21H24ClN3OS.C20H19ClIN3O/c2*1-2-9-27(22(29)15-5-7-18(25)17(23)10-15)13-21-26-19-8-6-16(24)11-20(19)28(21)12-14-3-4-14;2*1-2-10-26(22(28)16-4-3-5-18(24)11-16)14-21-25-19-9-8-17(23)12-20(19)27(21)13-15-6-7-15;1-2-25(21(27)15-4-3-5-17(23)10-15)13-20-24-18-9-8-16(22)11-19(18)26(20)12-14-6-7-14;1-3-10-24(21(26)19-9-4-14(2)27-19)13-20-23-17-8-7-16(22)11-18(17)25(20)12-15-5-6-15;1-24(20(26)14-3-2-4-16(22)9-14)12-19-23-17-8-7-15(21)10-18(17)25(19)11-13-5-6-13/h5-8,10-11,14H,2-4,9,12-13H2,1H3;2,5-8,10-11,14H,1,3-4,9,12-13H2;3-5,8-9,11-12,15H,2,6-7,10,13-14H2,1H3;2-5,8-9,11-12,15H,1,6-7,10,13-14H2;3-5,8-11,14H,2,6-7,12-13H2,1H3;4,7-9,11,15H,3,5-6,10,12-13H2,1-2H3;2-4,7-10,13H,5-6,11-12H2,1H3.

What are the key properties of 3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide?

3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide has a molecular weight of 3344.65 g/mol, XLogP of 39.04, 46 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-methylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-prop-2-enylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-iodo-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 158358775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).