N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide

C17H14Cl2F3N5O2 — CID 25094350

IUPACN-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide
SMILESCN1C(=O)N(c2nccc(C(F)(F)F)n2)CC1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2F3N5O2/c1-26-12(14(28)24-7-9-2-3-10(18)6-11(9)19)8-27(16(26)29)15-23-5-4-13(25-15)17(20,21)22/h2-6,12H,7-8H2,1H3,(H,24,28)
InChIKeyWKPQKNKUQXTNMT-UHFFFAOYSA-N
MW448.23 g/mol
LogP3.36
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide

N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide (PubChem CID 25094350) has the molecular formula C17H14Cl2F3N5O2 and a molecular weight of 448.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide
PubChem CID25094350
Molecular FormulaC17H14Cl2F3N5O2
Molecular Weight448.23 g/mol
Exact Mass447.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide
SMILESCN1C(=O)N(c2nccc(C(F)(F)F)n2)CC1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2F3N5O2/c1-26-12(14(28)24-7-9-2-3-10(18)6-11(9)19)8-27(16(26)29)15-23-5-4-13(25-15)17(20,21)22/h2-6,12H,7-8H2,1H3,(H,24,28)
InChIKeyWKPQKNKUQXTNMT-UHFFFAOYSA-N
XLogP3.36
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.23
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide (CID 25094350) is N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide is CN1C(=O)N(c2nccc(C(F)(F)F)n2)CC1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide?
The InChIKey is WKPQKNKUQXTNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3N5O2/c1-26-12(14(28)24-7-9-2-3-10(18)6-11(9)19)8-27(16(26)29)15-23-5-4-13(25-15)17(20,21)22/h2-6,12H,7-8H2,1H3,(H,24,28).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide has a molecular weight of 448.23 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide is sourced from PubChem (CID 25094350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).