(4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide

C16H12Cl2F3N5O2 — CID 162520743

IUPAC(4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2ncc(Cl)c(C(F)(F)F)n2)N1
InChIInChI=1S/C16H12Cl2F3N5O2/c17-8-3-1-7(2-4-8)11(25-14(27)10-6-23-15(28)24-10)13-22-5-9(18)12(26-13)16(19,20)21/h1-5,10-11H,6H2,(H,25,27)(H2,23,24,28)/t10-,11?/m0/s1
InChIKeyFBEKVCAOQKXVOK-VUWPPUDQSA-N
MW434.21 g/mol
LogP2.69
Rot. Bonds4

About (4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520743) has the molecular formula C16H12Cl2F3N5O2 and a molecular weight of 434.21 g/mol. Its IUPAC name is (4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520743
Molecular FormulaC16H12Cl2F3N5O2
Molecular Weight434.21 g/mol
Exact Mass433.03
IUPAC Name(4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2ncc(Cl)c(C(F)(F)F)n2)N1
InChIInChI=1S/C16H12Cl2F3N5O2/c17-8-3-1-7(2-4-8)11(25-14(27)10-6-23-15(28)24-10)13-22-5-9(18)12(26-13)16(19,20)21/h1-5,10-11H,6H2,(H,25,27)(H2,23,24,28)/t10-,11?/m0/s1
InChIKeyFBEKVCAOQKXVOK-VUWPPUDQSA-N
XLogP2.69
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.21
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520743) is (4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2ncc(Cl)c(C(F)(F)F)n2)N1.
What is the InChIKey of (4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is FBEKVCAOQKXVOK-VUWPPUDQSA-N. The full InChI is InChI=1S/C16H12Cl2F3N5O2/c17-8-3-1-7(2-4-8)11(25-14(27)10-6-23-15(28)24-10)13-22-5-9(18)12(26-13)16(19,20)21/h1-5,10-11H,6H2,(H,25,27)(H2,23,24,28)/t10-,11?/m0/s1.
What are the key properties of (4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 434.21 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).