N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide

C40H41Cl2F3N4O3 — CID 87887179

About N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide

N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 87887179) has the molecular formula C40H41Cl2F3N4O3 and a molecular weight of 753.69 g/mol. Its IUPAC name is N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide
• PubChem CID: 87887179
• Molecular Formula: C40H41Cl2F3N4O3
• Molecular Weight: 753.69 g/mol
• Exact Mass: 752.25
• IUPAC Name: N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide
• SMILES: CC(=O)NC1CCN(Cc2ccc(C(=O)C3(c4ccc(C(F)(F)F)cc4OC(C)C)NC(c4ccc(Cl)cc4)C(c4ccc(Cl)cc4)N3)cc2)CC1
• InChI: InChI=1S/C40H41Cl2F3N4O3/c1-24(2)52-35-22-30(40(43,44)45)12-17-34(35)39(38(51)29-6-4-26(5-7-29)23-49-20-18-33(19-21-49)46-25(3)50)47-36(27-8-13-31(41)14-9-27)37(48-39)28-10-15-32(42)16-11-28/h4-17,22,24,33,36-37,47-48H,18-21,23H2,1-3H3,(H,46,50)
• InChIKey: IRXFNWBTEISGMG-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 82.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.69
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide?

The IUPAC name of N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide (CID 87887179) is N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide.

What is the SMILES notation for N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide?

The canonical SMILES for N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(Cc2ccc(C(=O)C3(c4ccc(C(F)(F)F)cc4OC(C)C)NC(c4ccc(Cl)cc4)C(c4ccc(Cl)cc4)N3)cc2)CC1.

What is the InChIKey of N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide?

The InChIKey is IRXFNWBTEISGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41Cl2F3N4O3/c1-24(2)52-35-22-30(40(43,44)45)12-17-34(35)39(38(51)29-6-4-26(5-7-29)23-49-20-18-33(19-21-49)46-25(3)50)47-36(27-8-13-31(41)14-9-27)37(48-39)28-10-15-32(42)16-11-28/h4-17,22,24,33,36-37,47-48H,18-21,23H2,1-3H3,(H,46,50).

What are the key properties of N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide?

N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 753.69 g/mol, XLogP of 8.61, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 87887179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).