1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide

C155H162N42O8 — CID 158040300

About 1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide

1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide (PubChem CID 158040300) has the molecular formula C155H162N42O8 and a molecular weight of 2741.29 g/mol. Its IUPAC name is 1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide.

Molecular Properties

• Compound Name: 1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide
• PubChem CID: 158040300
• Molecular Formula: C155H162N42O8
• Molecular Weight: 2741.29 g/mol
• Exact Mass: 2739.36
• IUPAC Name: 1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide
• SMILES: CC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2n[nH]nc2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2n[nH]nc2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2n[nH]nc12.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2n[nH]nc12.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2n[nH]nc2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2c1CN=N2.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2n[nH]nc12.NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1cccc2c1CN=N2
• InChI: InChI=1S/2C20H19N5O.C20H23N5O.2C19H22N6O.3C19H19N5O/c1-14(26)9-20-19(10-15-5-3-2-4-6-15)21-13-25(20)12-16-7-8-17-18(11-16)23-24-22-17;21-20(26)10-19-18(9-14-5-2-1-3-6-14)22-13-25(19)12-15-7-4-8-17-16(15)11-23-24-17;21-20(26)10-9-16-14-24(15-5-2-1-3-6-15)11-12-25(16)19-8-4-7-18-17(19)13-22-23-18;20-18(26)10-9-15-13-24(14-5-2-1-3-6-14)11-12-25(15)17-8-4-7-16-19(17)22-23-21-16;20-19(26)9-7-16-13-24(14-4-2-1-3-5-14)10-11-25(16)15-6-8-17-18(12-15)22-23-21-17;2*1-13(25)10-17-19(14-6-3-2-4-7-14)20-12-24(17)11-15-8-5-9-16-18(15)22-23-21-16;1-13(25)9-18-19(15-5-3-2-4-6-15)20-12-24(18)11-14-7-8-16-17(10-14)22-23-21-16/h2-8,11,13H,9-10,12H2,1H3,(H,22,23,24);1-8,13H,9-12H2,(H2,21,26);1-8,16H,9-14H2,(H2,21,26);1-8,15H,9-13H2,(H2,20,26)(H,21,22,23);1-6,8,12,16H,7,9-11,13H2,(H2,20,26)(H,21,22,23);2*2-9,12-13,25H,10-11H2,1H3,(H,21,22,23);2-8,10,12-13,25H,9,11H2,1H3,(H,21,22,23)
• InChIKey: FIGQCHBLWPBKRQ-UHFFFAOYSA-N
• XLogP: 21.53
• TPSA: 657.52 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 40
• Rotatable Bonds: 42
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2741.29
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide?

The IUPAC name of 1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide (CID 158040300) is 1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide.

What is the SMILES notation for 1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide?

The canonical SMILES for 1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide is CC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2n[nH]nc2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2n[nH]nc2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2n[nH]nc12.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2n[nH]nc12.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2n[nH]nc2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2c1CN=N2.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2n[nH]nc12.NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1cccc2c1CN=N2.

What is the InChIKey of 1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide?

The InChIKey is FIGQCHBLWPBKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19N5O.C20H23N5O.2C19H22N6O.3C19H19N5O/c1-14(26)9-20-19(10-15-5-3-2-4-6-15)21-13-25(20)12-16-7-8-17-18(11-16)23-24-22-17;21-20(26)10-19-18(9-14-5-2-1-3-6-14)22-13-25(19)12-15-7-4-8-17-16(15)11-23-24-17;21-20(26)10-9-16-14-24(15-5-2-1-3-6-15)11-12-25(16)19-8-4-7-18-17(19)13-22-23-18;20-18(26)10-9-15-13-24(14-5-2-1-3-6-14)11-12-25(15)17-8-4-7-16-19(17)22-23-21-16;20-19(26)9-7-16-13-24(14-4-2-1-3-5-14)10-11-25(16)15-6-8-17-18(12-15)22-23-21-17;2*1-13(25)10-17-19(14-6-3-2-4-7-14)20-12-24(17)11-15-8-5-9-16-18(15)22-23-21-16;1-13(25)9-18-19(15-5-3-2-4-6-15)20-12-24(18)11-14-7-8-16-17(10-14)22-23-21-16/h2-8,11,13H,9-10,12H2,1H3,(H,22,23,24);1-8,13H,9-12H2,(H2,21,26);1-8,16H,9-14H2,(H2,21,26);1-8,15H,9-13H2,(H2,20,26)(H,21,22,23);1-6,8,12,16H,7,9-11,13H2,(H2,20,26)(H,21,22,23);2*2-9,12-13,25H,10-11H2,1H3,(H,21,22,23);2-8,10,12-13,25H,9,11H2,1H3,(H,21,22,23).

What are the key properties of 1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide?

1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide has a molecular weight of 2741.29 g/mol, XLogP of 21.53, 42 rotatable bonds, 13 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]propan-2-one;bis(1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol);1-[3-(2H-benzotriazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2H-benzotriazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(3H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;3-[1-(3H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide is sourced from PubChem (CID 158040300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).