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

C40H40Cl3F3N4O3 — CID 87761701

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

N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide;hydrochloride (PubChem CID 87761701) has the molecular formula C40H40Cl3F3N4O3 and a molecular weight of 788.14 g/mol. Its IUPAC name is N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide;hydrochloride
• PubChem CID: 87761701
• Molecular Formula: C40H40Cl3F3N4O3
• Molecular Weight: 788.14 g/mol
• Exact Mass: 786.21
• IUPAC Name: N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide;hydrochloride
• SMILES: CC(=O)NC1CCN(Cc2ccc(C(=O)N3C(c4ccc(C(F)(F)F)cc4OC(C)C)=NC(c4ccc(Cl)cc4)C3c3ccc(Cl)cc3)cc2)CC1.Cl
• InChI: InChI=1S/C40H39Cl2F3N4O3.ClH/c1-24(2)52-35-22-30(40(43,44)45)12-17-34(35)38-47-36(27-8-13-31(41)14-9-27)37(28-10-15-32(42)16-11-28)49(38)39(51)29-6-4-26(5-7-29)23-48-20-18-33(19-21-48)46-25(3)50;/h4-17,22,24,33,36-37H,18-21,23H2,1-3H3,(H,46,50);1H
• InChIKey: KLPNGRRRAHCMLX-UHFFFAOYSA-N
• XLogP: 9.71
• TPSA: 74.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.14
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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]-4,5-dihydroimidazole-1-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide;hydrochloride?

The IUPAC name of N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide;hydrochloride (CID 87761701) is N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide;hydrochloride.

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

The canonical SMILES for N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide;hydrochloride is CC(=O)NC1CCN(Cc2ccc(C(=O)N3C(c4ccc(C(F)(F)F)cc4OC(C)C)=NC(c4ccc(Cl)cc4)C3c3ccc(Cl)cc3)cc2)CC1.Cl.

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

The InChIKey is KLPNGRRRAHCMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39Cl2F3N4O3.ClH/c1-24(2)52-35-22-30(40(43,44)45)12-17-34(35)38-47-36(27-8-13-31(41)14-9-27)37(28-10-15-32(42)16-11-28)49(38)39(51)29-6-4-26(5-7-29)23-48-20-18-33(19-21-48)46-25(3)50;/h4-17,22,24,33,36-37H,18-21,23H2,1-3H3,(H,46,50);1H.

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

N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide;hydrochloride has a molecular weight of 788.14 g/mol, XLogP of 9.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 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]-4,5-dihydroimidazole-1-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 87761701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).