[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride

C42H44Cl3F3N4O2 — CID 87761257

About [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride

[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride (PubChem CID 87761257) has the molecular formula C42H44Cl3F3N4O2 and a molecular weight of 800.19 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride.

Molecular Properties

• Compound Name: [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride
• PubChem CID: 87761257
• Molecular Formula: C42H44Cl3F3N4O2
• Molecular Weight: 800.19 g/mol
• Exact Mass: 798.25
• IUPAC Name: [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride
• SMILES: CC(C)Oc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)c1ccc(CN2CCC(N3CCCC3)CC2)cc1.Cl
• InChI: InChI=1S/C42H43Cl2F3N4O2.ClH/c1-27(2)53-37-25-32(42(45,46)47)13-18-36(37)40-48-38(29-9-14-33(43)15-10-29)39(30-11-16-34(44)17-12-30)51(40)41(52)31-7-5-28(6-8-31)26-49-23-19-35(20-24-49)50-21-3-4-22-50;/h5-18,25,27,35,38-39H,3-4,19-24,26H2,1-2H3;1H
• InChIKey: YWCVPNHASCELHD-UHFFFAOYSA-N
• XLogP: 10.67
• TPSA: 48.38 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.19
LogP ≤ 5	10.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride?

The IUPAC name of [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride (CID 87761257) is [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride.

What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride?

The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride is CC(C)Oc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)c1ccc(CN2CCC(N3CCCC3)CC2)cc1.Cl.

What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride?

The InChIKey is YWCVPNHASCELHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43Cl2F3N4O2.ClH/c1-27(2)53-37-25-32(42(45,46)47)13-18-36(37)40-48-38(29-9-14-33(43)15-10-29)39(30-11-16-34(44)17-12-30)51(40)41(52)31-7-5-28(6-8-31)26-49-23-19-35(20-24-49)50-21-3-4-22-50;/h5-18,25,27,35,38-39H,3-4,19-24,26H2,1-2H3;1H.

What are the key properties of [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride?

[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride has a molecular weight of 800.19 g/mol, XLogP of 10.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone;hydrochloride is sourced from PubChem (CID 87761257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).