2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide

C152H156BrCl5F10N16O6 — CID 157345630

About 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide

2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide (PubChem CID 157345630) has the molecular formula C152H156BrCl5F10N16O6 and a molecular weight of 2750.17 g/mol. Its IUPAC name is 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide.

Molecular Properties

• Compound Name: 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide
• PubChem CID: 157345630
• Molecular Formula: C152H156BrCl5F10N16O6
• Molecular Weight: 2750.17 g/mol
• Exact Mass: 2744.99
• IUPAC Name: 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide
• SMILES: CC(C)CC(Cc1nc2ccccc2n1Cc1ccccc1)C(=O)c1cc(F)c(F)cc1F.CCCn1c(CN(C(=O)/C=C/c2ccccc2Br)C2CCCC2)nc2ccc(Cl)cc21.CCCn1c(CN(C(=O)/C=C/c2ccccc2C(F)(F)F)C2CCCC2)nc2ccc(Cl)cc21.CCCn1c(CN(C(=O)Cc2cccc(F)c2)C2CCCC2)nc2ccc(Cl)cc21.CCCn1c(CN(CC2CC2)C(=O)c2c(F)ccc(F)c2F)nc2ccc(Cl)cc21.Cc1ccc(C(=O)C(Cc2nc3ccccc3n2Cc2ccccc2)CC(C)C)cc1Cl
• InChI: InChI=1S/C28H29ClN2O.C27H25F3N2O.C26H27ClF3N3O.C25H27BrClN3O.C24H27ClFN3O.C22H21ClF3N3O/c1-19(2)15-23(28(32)22-14-13-20(3)24(29)16-22)17-27-30-25-11-7-8-12-26(25)31(27)18-21-9-5-4-6-10-21;1-17(2)12-19(27(33)20-14-22(29)23(30)15-21(20)28)13-26-31-24-10-6-7-11-25(24)32(26)16-18-8-4-3-5-9-18;1-2-15-32-23-16-19(27)12-13-22(23)31-24(32)17-33(20-8-4-5-9-20)25(34)14-11-18-7-3-6-10-21(18)26(28,29)30;1-2-15-29-23-16-19(27)12-13-22(23)28-24(29)17-30(20-8-4-5-9-20)25(31)14-11-18-7-3-6-10-21(18)26;1-2-12-28-22-15-18(25)10-11-21(22)27-23(28)16-29(20-8-3-4-9-20)24(30)14-17-6-5-7-19(26)13-17;1-2-9-29-18-10-14(23)5-8-17(18)27-19(29)12-28(11-13-3-4-13)22(30)20-15(24)6-7-16(25)21(20)26/h4-14,16,19,23H,15,17-18H2,1-3H3;3-11,14-15,17,19H,12-13,16H2,1-2H3;3,6-7,10-14,16,20H,2,4-5,8-9,15,17H2,1H3;3,6-7,10-14,16,20H,2,4-5,8-9,15,17H2,1H3;5-7,10-11,13,15,20H,2-4,8-9,12,14,16H2,1H3;5-8,10,13H,2-4,9,11-12H2,1H3/b;;2*14-11+
• InChIKey: BGXWEUCSJLAPHL-TUKZTDFGSA-N
• XLogP: 39.00
• TPSA: 222.30 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 44
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2750.17
LogP ≤ 5	39.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide?

The IUPAC name of 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide (CID 157345630) is 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide.

What is the SMILES notation for 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide?

The canonical SMILES for 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide is CC(C)CC(Cc1nc2ccccc2n1Cc1ccccc1)C(=O)c1cc(F)c(F)cc1F.CCCn1c(CN(C(=O)/C=C/c2ccccc2Br)C2CCCC2)nc2ccc(Cl)cc21.CCCn1c(CN(C(=O)/C=C/c2ccccc2C(F)(F)F)C2CCCC2)nc2ccc(Cl)cc21.CCCn1c(CN(C(=O)Cc2cccc(F)c2)C2CCCC2)nc2ccc(Cl)cc21.CCCn1c(CN(CC2CC2)C(=O)c2c(F)ccc(F)c2F)nc2ccc(Cl)cc21.Cc1ccc(C(=O)C(Cc2nc3ccccc3n2Cc2ccccc2)CC(C)C)cc1Cl.

What is the InChIKey of 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide?

The InChIKey is BGXWEUCSJLAPHL-TUKZTDFGSA-N. The full InChI is InChI=1S/C28H29ClN2O.C27H25F3N2O.C26H27ClF3N3O.C25H27BrClN3O.C24H27ClFN3O.C22H21ClF3N3O/c1-19(2)15-23(28(32)22-14-13-20(3)24(29)16-22)17-27-30-25-11-7-8-12-26(25)31(27)18-21-9-5-4-6-10-21;1-17(2)12-19(27(33)20-14-22(29)23(30)15-21(20)28)13-26-31-24-10-6-7-11-25(24)32(26)16-18-8-4-3-5-9-18;1-2-15-32-23-16-19(27)12-13-22(23)31-24(32)17-33(20-8-4-5-9-20)25(34)14-11-18-7-3-6-10-21(18)26(28,29)30;1-2-15-29-23-16-19(27)12-13-22(23)28-24(29)17-30(20-8-4-5-9-20)25(31)14-11-18-7-3-6-10-21(18)26;1-2-12-28-22-15-18(25)10-11-21(22)27-23(28)16-29(20-8-3-4-9-20)24(30)14-17-6-5-7-19(26)13-17;1-2-9-29-18-10-14(23)5-8-17(18)27-19(29)12-28(11-13-3-4-13)22(30)20-15(24)6-7-16(25)21(20)26/h4-14,16,19,23H,15,17-18H2,1-3H3;3-11,14-15,17,19H,12-13,16H2,1-2H3;3,6-7,10-14,16,20H,2,4-5,8-9,15,17H2,1H3;3,6-7,10-14,16,20H,2,4-5,8-9,15,17H2,1H3;5-7,10-11,13,15,20H,2-4,8-9,12,14,16H2,1H3;5-8,10,13H,2-4,9,11-12H2,1H3/b;;2*14-11+;;.

What are the key properties of 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide?

2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide has a molecular weight of 2750.17 g/mol, XLogP of 39.00, 44 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one;2-[(1-benzylbenzimidazol-2-yl)methyl]-4-methyl-1-(2,4,5-trifluorophenyl)pentan-1-one;(E)-3-(2-bromophenyl)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentylprop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-2-(3-fluorophenyl)acetamide;(E)-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-2,3,6-trifluorobenzamide is sourced from PubChem (CID 157345630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).