2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide

C166H176N34O13 — CID 160872701

About 2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide

2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide (PubChem CID 160872701) has the molecular formula C166H176N34O13 and a molecular weight of 2855.46 g/mol. Its IUPAC name is 2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide
• PubChem CID: 160872701
• Molecular Formula: C166H176N34O13
• Molecular Weight: 2855.46 g/mol
• Exact Mass: 2853.42
• IUPAC Name: 2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide
• SMILES: CC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2[nH]c(=O)[nH]c2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2c(c1)CC(=O)N2.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2[nH]c(=O)[nH]c12.Cc1nc2c(Cn3cnc(-c4ccccc4)c3CC(C)O)cccc2[nH]1.Cc1nc2c(Cn3cnc(Cc4ccccc4)c3CC(N)=O)cccc2[nH]1.Cc1nc2c(N3CCN(c4ccccc4)CC3CCC(N)=O)cccc2[nH]1.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2[nH]c(=O)[nH]c2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2c1CC(=O)N2
• InChI: InChI=1S/C21H21N5O.C21H25N5O.C21H20N4O2.C21H24N4O2.C21H22N4O.C21H21N3O2.C20H23N5O2.C20H20N4O2/c1-14-24-17-9-5-8-16(21(17)25-14)12-26-13-23-18(19(26)11-20(22)27)10-15-6-3-2-4-7-15;1-15-23-18-8-5-9-19(21(18)24-15)26-13-12-25(16-6-3-2-4-7-16)14-17(26)10-11-20(22)27;1-14(26)9-20-19(10-15-5-3-2-4-6-15)22-13-25(20)12-16-7-8-17-18(11-16)24-21(27)23-17;22-20(26)10-9-16-14-24(15-5-2-1-3-6-15)11-12-25(16)19-8-4-7-18-17(19)13-21(27)23-18;1-14(26)11-19-21(16-7-4-3-5-8-16)22-13-25(19)12-17-9-6-10-18-20(17)24-15(2)23-18;1-14(25)9-19-21(16-5-3-2-4-6-16)22-13-24(19)12-15-7-8-18-17(10-15)11-20(26)23-18;21-19(26)9-7-16-13-24(14-4-2-1-3-5-14)10-11-25(16)15-6-8-17-18(12-15)23-20(27)22-17;1-13(25)10-17-19(14-6-3-2-4-7-14)21-12-24(17)11-15-8-5-9-16-18(15)23-20(26)22-16/h2-9,13H,10-12H2,1H3,(H2,22,27)(H,24,25);2-9,17H,10-14H2,1H3,(H2,22,27)(H,23,24);2-8,11,13H,9-10,12H2,1H3,(H2,23,24,27);1-8,16H,9-14H2,(H2,22,26)(H,23,27);3-10,13-14,26H,11-12H2,1-2H3,(H,23,24);2-8,10,13-14,25H,9,11-12H2,1H3,(H,23,26);1-6,8,12,16H,7,9-11,13H2,(H2,21,26)(H2,22,23,27);2-9,12-13,25H,10-11H2,1H3,(H2,22,23,26)
• InChIKey: SLYSDHCDEOFLAY-UHFFFAOYSA-N
• XLogP: 21.76
• TPSA: 648.85 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 32
• Rotatable Bonds: 42
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2855.46
LogP ≤ 5	21.76
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide?

The IUPAC name of 2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide (CID 160872701) is 2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide.

What is the SMILES notation for 2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide?

The canonical SMILES for 2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide is CC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2[nH]c(=O)[nH]c2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2c(c1)CC(=O)N2.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2[nH]c(=O)[nH]c12.Cc1nc2c(Cn3cnc(-c4ccccc4)c3CC(C)O)cccc2[nH]1.Cc1nc2c(Cn3cnc(Cc4ccccc4)c3CC(N)=O)cccc2[nH]1.Cc1nc2c(N3CCN(c4ccccc4)CC3CCC(N)=O)cccc2[nH]1.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2[nH]c(=O)[nH]c2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2c1CC(=O)N2.

What is the InChIKey of 2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide?

The InChIKey is SLYSDHCDEOFLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O.C21H25N5O.C21H20N4O2.C21H24N4O2.C21H22N4O.C21H21N3O2.C20H23N5O2.C20H20N4O2/c1-14-24-17-9-5-8-16(21(17)25-14)12-26-13-23-18(19(26)11-20(22)27)10-15-6-3-2-4-7-15;1-15-23-18-8-5-9-19(21(18)24-15)26-13-12-25(16-6-3-2-4-7-16)14-17(26)10-11-20(22)27;1-14(26)9-20-19(10-15-5-3-2-4-6-15)22-13-25(20)12-16-7-8-17-18(11-16)24-21(27)23-17;22-20(26)10-9-16-14-24(15-5-2-1-3-6-15)11-12-25(16)19-8-4-7-18-17(19)13-21(27)23-18;1-14(26)11-19-21(16-7-4-3-5-8-16)22-13-25(19)12-17-9-6-10-18-20(17)24-15(2)23-18;1-14(25)9-19-21(16-5-3-2-4-6-16)22-13-24(19)12-15-7-8-18-17(10-15)11-20(26)23-18;21-19(26)9-7-16-13-24(14-4-2-1-3-5-14)10-11-25(16)15-6-8-17-18(12-15)23-20(27)22-17;1-13(25)10-17-19(14-6-3-2-4-7-14)21-12-24(17)11-15-8-5-9-16-18(15)23-20(26)22-16/h2-9,13H,10-12H2,1H3,(H2,22,27)(H,24,25);2-9,17H,10-14H2,1H3,(H2,22,27)(H,23,24);2-8,11,13H,9-10,12H2,1H3,(H2,23,24,27);1-8,16H,9-14H2,(H2,22,26)(H,23,27);3-10,13-14,26H,11-12H2,1-2H3,(H,23,24);2-8,10,13-14,25H,9,11-12H2,1H3,(H,23,26);1-6,8,12,16H,7,9-11,13H2,(H2,21,26)(H2,22,23,27);2-9,12-13,25H,10-11H2,1H3,(H2,22,23,26).

What are the key properties of 2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide?

2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide has a molecular weight of 2855.46 g/mol, XLogP of 21.76, 42 rotatable bonds, 18 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-benzyl-3-[(2-methyl-1H-benzimidazol-4-yl)methyl]imidazol-4-yl]acetamide;5-[[4-benzyl-5-(2-oxopropyl)imidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-[(2-methyl-1H-benzimidazol-4-yl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2-methyl-1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide is sourced from PubChem (CID 160872701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).