1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine

C42H51Cl2F3N6O5 — CID 171924968

About 1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine

1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine (PubChem CID 171924968) has the molecular formula C42H51Cl2F3N6O5 and a molecular weight of 847.81 g/mol. Its IUPAC name is 1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine.

Molecular Properties

• Compound Name: 1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine
• PubChem CID: 171924968
• Molecular Formula: C42H51Cl2F3N6O5
• Molecular Weight: 847.81 g/mol
• Exact Mass: 846.33
• IUPAC Name: 1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine
• SMILES: CCNCC.CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCC(NC(=O)CN2CCCC(C(=O)O)C2)CC1
• InChI: InChI=1S/C38H40Cl2F3N5O5.C4H11N/c1-2-53-31-20-26(38(41,42)43)9-14-30(31)35-45-33(23-5-10-27(39)11-6-23)34(24-7-12-28(40)13-8-24)48(35)37(52)47-18-15-29(16-19-47)44-32(49)22-46-17-3-4-25(21-46)36(50)51;1-3-5-4-2/h5-14,20,25,29,33-34H,2-4,15-19,21-22H2,1H3,(H,44,49)(H,50,51);5H,3-4H2,1-2H3
• InChIKey: LPBBLPADYGNHTH-UHFFFAOYSA-N
• XLogP: 8.07
• TPSA: 126.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.81
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine?

The IUPAC name of 1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine (CID 171924968) is 1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine.

What is the SMILES notation for 1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine?

The canonical SMILES for 1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine is CCNCC.CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCC(NC(=O)CN2CCCC(C(=O)O)C2)CC1.

What is the InChIKey of 1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine?

The InChIKey is LPBBLPADYGNHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40Cl2F3N5O5.C4H11N/c1-2-53-31-20-26(38(41,42)43)9-14-30(31)35-45-33(23-5-10-27(39)11-6-23)34(24-7-12-28(40)13-8-24)48(35)37(52)47-18-15-29(16-19-47)44-32(49)22-46-17-3-4-25(21-46)36(50)51;1-3-5-4-2/h5-14,20,25,29,33-34H,2-4,15-19,21-22H2,1H3,(H,44,49)(H,50,51);5H,3-4H2,1-2H3.

What are the key properties of 1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine?

1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine has a molecular weight of 847.81 g/mol, XLogP of 8.07, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylic acid;N-ethylethanamine is sourced from PubChem (CID 171924968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).