1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride

C32H32Cl3F6N3O — CID 21200525

IUPAC1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride
SMILESCN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1(CCN1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C32H31Cl2F6N3O.ClH/c1-41-29(44)43(19-21-15-25(31(35,36)37)17-26(16-21)32(38,39)40)20-30(41,24-7-8-27(33)28(34)18-24)11-14-42-12-9-23(10-13-42)22-5-3-2-4-6-22;/h2-8,15-18,23H,9-14,19-20H2,1H3;1H
InChIKeyDLWOVVFRZYLGLH-UHFFFAOYSA-N
MW694.98 g/mol
LogP9.49
Rot. Bonds7

About 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride (PubChem CID 21200525) has the molecular formula C32H32Cl3F6N3O and a molecular weight of 694.98 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride
PubChem CID21200525
Molecular FormulaC32H32Cl3F6N3O
Molecular Weight694.98 g/mol
Exact Mass693.15
IUPAC Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride
SMILESCN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1(CCN1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C32H31Cl2F6N3O.ClH/c1-41-29(44)43(19-21-15-25(31(35,36)37)17-26(16-21)32(38,39)40)20-30(41,24-7-8-27(33)28(34)18-24)11-14-42-12-9-23(10-13-42)22-5-3-2-4-6-22;/h2-8,15-18,23H,9-14,19-20H2,1H3;1H
InChIKeyDLWOVVFRZYLGLH-UHFFFAOYSA-N
XLogP9.49
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.98
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride (CID 21200525) is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride is CN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1(CCN1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride?
The InChIKey is DLWOVVFRZYLGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31Cl2F6N3O.ClH/c1-41-29(44)43(19-21-15-25(31(35,36)37)17-26(16-21)32(38,39)40)20-30(41,24-7-8-27(33)28(34)18-24)11-14-42-12-9-23(10-13-42)22-5-3-2-4-6-22;/h2-8,15-18,23H,9-14,19-20H2,1H3;1H.
What are the key properties of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride?
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride has a molecular weight of 694.98 g/mol, XLogP of 9.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 21200525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).