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

C19H18ClF3N4O2 — CID 52943071

IUPAC(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
SMILESCc1ncccc1N1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2Cl)N(C)C1=O
InChIInChI=1S/C19H18ClF3N4O2/c1-11-14(7-4-8-24-11)27-10-15(26(2)18(27)29)17(28)25-9-12-5-3-6-13(16(12)20)19(21,22)23/h3-8,15H,9-10H2,1-2H3,(H,25,28)/t15-/m0/s1
InChIKeyXBNBWKDHPVEZON-HNNXBMFYSA-N
MW426.83 g/mol
LogP3.62
Rot. Bonds4

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

(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 52943071) has the molecular formula C19H18ClF3N4O2 and a molecular weight of 426.83 g/mol. Its IUPAC name is (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
PubChem CID52943071
Molecular FormulaC19H18ClF3N4O2
Molecular Weight426.83 g/mol
Exact Mass426.11
IUPAC Name(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
SMILESCc1ncccc1N1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2Cl)N(C)C1=O
InChIInChI=1S/C19H18ClF3N4O2/c1-11-14(7-4-8-24-11)27-10-15(26(2)18(27)29)17(28)25-9-12-5-3-6-13(16(12)20)19(21,22)23/h3-8,15H,9-10H2,1-2H3,(H,25,28)/t15-/m0/s1
InChIKeyXBNBWKDHPVEZON-HNNXBMFYSA-N
XLogP3.62
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.83
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide (CID 52943071) is (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide is Cc1ncccc1N1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2Cl)N(C)C1=O.
What is the InChIKey of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is XBNBWKDHPVEZON-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O2/c1-11-14(7-4-8-24-11)27-10-15(26(2)18(27)29)17(28)25-9-12-5-3-6-13(16(12)20)19(21,22)23/h3-8,15H,9-10H2,1-2H3,(H,25,28)/t15-/m0/s1.
What are the key properties of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 426.83 g/mol, XLogP of 3.62, 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-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 52943071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).