(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide

C19H24ClF3N4O2 — CID 52942125

IUPAC(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide
SMILESCN1CCC(N2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3Cl)N(C)C2=O)CC1
InChIInChI=1S/C19H24ClF3N4O2/c1-25-8-6-13(7-9-25)27-11-15(26(2)18(27)29)17(28)24-10-12-4-3-5-14(16(12)20)19(21,22)23/h3-5,13,15H,6-11H2,1-2H3,(H,24,28)/t15-/m0/s1
InChIKeyZOVACZRAPANZAX-HNNXBMFYSA-N
MW432.87 g/mol
LogP2.81
Rot. Bonds4

About (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide

(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 52942125) has the molecular formula C19H24ClF3N4O2 and a molecular weight of 432.87 g/mol. Its IUPAC name is (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide
PubChem CID52942125
Molecular FormulaC19H24ClF3N4O2
Molecular Weight432.87 g/mol
Exact Mass432.15
IUPAC Name(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide
SMILESCN1CCC(N2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3Cl)N(C)C2=O)CC1
InChIInChI=1S/C19H24ClF3N4O2/c1-25-8-6-13(7-9-25)27-11-15(26(2)18(27)29)17(28)24-10-12-4-3-5-14(16(12)20)19(21,22)23/h3-5,13,15H,6-11H2,1-2H3,(H,24,28)/t15-/m0/s1
InChIKeyZOVACZRAPANZAX-HNNXBMFYSA-N
XLogP2.81
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Gsk-1482160
CID 23649427
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
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CID 50898450
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Pyrrolidine-1,2-dicarboxylic acid 1-benzylamide 2-(2-chloro-benzylamide)
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CID 3241689

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide (CID 52942125) is (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide is CN1CCC(N2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3Cl)N(C)C2=O)CC1.
What is the InChIKey of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is ZOVACZRAPANZAX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24ClF3N4O2/c1-25-8-6-13(7-9-25)27-11-15(26(2)18(27)29)17(28)24-10-12-4-3-5-14(16(12)20)19(21,22)23/h3-5,13,15H,6-11H2,1-2H3,(H,24,28)/t15-/m0/s1.
What are the key properties of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 432.87 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 52942125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).