1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide

C17H12Cl2F5N5O2 — CID 162509658

IUPAC1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESNC(=O)C1CN([C@H](c2cnc(C(F)(F)F)c(Cl)c2)c2ccc(Cl)c(C(F)F)n2)C(=O)N1
InChIInChI=1S/C17H12Cl2F5N5O2/c18-7-1-2-9(27-11(7)14(20)21)12(29-5-10(15(25)30)28-16(29)31)6-3-8(19)13(26-4-6)17(22,23)24/h1-4,10,12,14H,5H2,(H2,25,30)(H,28,31)/t10?,12-/m1/s1
InChIKeyNUHKFVVYOHKMQU-TVKKRMFBSA-N
MW484.21 g/mol
LogP3.71
Rot. Bonds5

About 1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide

1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162509658) has the molecular formula C17H12Cl2F5N5O2 and a molecular weight of 484.21 g/mol. Its IUPAC name is 1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162509658
Molecular FormulaC17H12Cl2F5N5O2
Molecular Weight484.21 g/mol
Exact Mass483.03
IUPAC Name1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESNC(=O)C1CN([C@H](c2cnc(C(F)(F)F)c(Cl)c2)c2ccc(Cl)c(C(F)F)n2)C(=O)N1
InChIInChI=1S/C17H12Cl2F5N5O2/c18-7-1-2-9(27-11(7)14(20)21)12(29-5-10(15(25)30)28-16(29)31)6-3-8(19)13(26-4-6)17(22,23)24/h1-4,10,12,14H,5H2,(H2,25,30)(H,28,31)/t10?,12-/m1/s1
InChIKeyNUHKFVVYOHKMQU-TVKKRMFBSA-N
XLogP3.71
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.21
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162509658) is 1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is NC(=O)C1CN([C@H](c2cnc(C(F)(F)F)c(Cl)c2)c2ccc(Cl)c(C(F)F)n2)C(=O)N1.
What is the InChIKey of 1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is NUHKFVVYOHKMQU-TVKKRMFBSA-N. The full InChI is InChI=1S/C17H12Cl2F5N5O2/c18-7-1-2-9(27-11(7)14(20)21)12(29-5-10(15(25)30)28-16(29)31)6-3-8(19)13(26-4-6)17(22,23)24/h1-4,10,12,14H,5H2,(H2,25,30)(H,28,31)/t10?,12-/m1/s1.
What are the key properties of 1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 484.21 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162509658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).