3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane

C157H180Br5Cl3F3N21O8 — CID 157055488

About 3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane

3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane (PubChem CID 157055488) has the molecular formula C157H180Br5Cl3F3N21O8 and a molecular weight of 3052.18 g/mol. Its IUPAC name is 3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane.

Molecular Properties

• Compound Name: 3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane
• PubChem CID: 157055488
• Molecular Formula: C157H180Br5Cl3F3N21O8
• Molecular Weight: 3052.18 g/mol
• Exact Mass: 3043.93
• IUPAC Name: 3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane
• SMILES: C=CCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cccc(Br)c1.CC.CC.CCCCCN(Cc1nc2ccccc2n1CCC)C(=O)c1ccc(F)c(Br)c1.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cccc(Br)c1.CCCN(Cc1nc2ccccc2n1CCC)C(=O)c1cccc(Br)c1.CCCn1c(CN(CC2CC2)C(=O)c2cc(Cl)ccc2Cl)nc2ccccc21.CCCn1c(CN(CC2CC2)C(=O)c2cc(Cl)ccc2OC)nc2ccccc21.CCCn1c(CN(CC2CC2)C(=O)c2cccc(Br)c2)nc2ccccc21
• InChI: InChI=1S/C23H27BrFN3O.C23H26ClN3O2.C22H24BrN3O.C22H23Cl2N3O.C21H23BrFN3O.C21H21BrFN3O.C21H24BrN3O.2C2H6/c1-3-5-8-14-27(23(29)17-11-12-19(25)18(24)15-17)16-22-26-20-9-6-7-10-21(20)28(22)13-4-2;1-3-12-27-20-7-5-4-6-19(20)25-22(27)15-26(14-16-8-9-16)23(28)18-13-17(24)10-11-21(18)29-2;1-2-12-26-20-9-4-3-8-19(20)24-21(26)15-25(14-16-10-11-16)22(27)17-6-5-7-18(23)13-17;1-2-11-27-20-6-4-3-5-19(20)25-21(27)14-26(13-15-7-8-15)22(28)17-12-16(23)9-10-18(17)24;2*1-3-10-25(21(27)15-6-5-7-16(22)12-15)14-20-24-18-13-17(23)8-9-19(18)26(20)11-4-2;1-3-12-24(21(26)16-8-7-9-17(22)14-16)15-20-23-18-10-5-6-11-19(18)25(20)13-4-2;2*1-2/h6-7,9-12,15H,3-5,8,13-14,16H2,1-2H3;4-7,10-11,13,16H,3,8-9,12,14-15H2,1-2H3;3-9,13,16H,2,10-12,14-15H2,1H3;3-6,9-10,12,15H,2,7-8,11,13-14H2,1H3;5-9,12-13H,3-4,10-11,14H2,1-2H3;3,5-9,12-13H,1,4,10-11,14H2,2H3;5-11,14H,3-4,12-13,15H2,1-2H3;2*1-2H3
• InChIKey: AASAHNBCSBDTQF-UHFFFAOYSA-N
• XLogP: 40.30
• TPSA: 276.14 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 52
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3052.18
LogP ≤ 5	40.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane?

The IUPAC name of 3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane (CID 157055488) is 3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane.

What is the SMILES notation for 3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane?

The canonical SMILES for 3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane is C=CCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cccc(Br)c1.CC.CC.CCCCCN(Cc1nc2ccccc2n1CCC)C(=O)c1ccc(F)c(Br)c1.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cccc(Br)c1.CCCN(Cc1nc2ccccc2n1CCC)C(=O)c1cccc(Br)c1.CCCn1c(CN(CC2CC2)C(=O)c2cc(Cl)ccc2Cl)nc2ccccc21.CCCn1c(CN(CC2CC2)C(=O)c2cc(Cl)ccc2OC)nc2ccccc21.CCCn1c(CN(CC2CC2)C(=O)c2cccc(Br)c2)nc2ccccc21.

What is the InChIKey of 3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane?

The InChIKey is AASAHNBCSBDTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrFN3O.C23H26ClN3O2.C22H24BrN3O.C22H23Cl2N3O.C21H23BrFN3O.C21H21BrFN3O.C21H24BrN3O.2C2H6/c1-3-5-8-14-27(23(29)17-11-12-19(25)18(24)15-17)16-22-26-20-9-6-7-10-21(20)28(22)13-4-2;1-3-12-27-20-7-5-4-6-19(20)25-22(27)15-26(14-16-8-9-16)23(28)18-13-17(24)10-11-21(18)29-2;1-2-12-26-20-9-4-3-8-19(20)24-21(26)15-25(14-16-10-11-16)22(27)17-6-5-7-18(23)13-17;1-2-11-27-20-6-4-3-5-19(20)25-21(27)14-26(13-15-7-8-15)22(28)17-12-16(23)9-10-18(17)24;2*1-3-10-25(21(27)15-6-5-7-16(22)12-15)14-20-24-18-13-17(23)8-9-19(18)26(20)11-4-2;1-3-12-24(21(26)16-8-7-9-17(22)14-16)15-20-23-18-10-5-6-11-19(18)25(20)13-4-2;2*1-2/h6-7,9-12,15H,3-5,8,13-14,16H2,1-2H3;4-7,10-11,13,16H,3,8-9,12,14-15H2,1-2H3;3-9,13,16H,2,10-12,14-15H2,1H3;3-6,9-10,12,15H,2,7-8,11,13-14H2,1H3;5-9,12-13H,3-4,10-11,14H2,1-2H3;3,5-9,12-13H,1,4,10-11,14H2,2H3;5-11,14H,3-4,12-13,15H2,1-2H3;2*1-2H3.

What are the key properties of 3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane?

3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane has a molecular weight of 3052.18 g/mol, XLogP of 40.30, 52 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane is sourced from PubChem (CID 157055488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).