N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide

C18H18ClF3N6O2 — CID 90321966

IUPACN-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide
SMILESCC(C)[C@H]1CN(c2cnc(C(F)(F)F)nc2)C(=O)N1CC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C18H18ClF3N6O2/c1-10(2)13-8-27(12-6-24-16(25-7-12)18(20,21)22)17(30)28(13)9-15(29)26-14-5-11(19)3-4-23-14/h3-7,10,13H,8-9H2,1-2H3,(H,23,26,29)/t13-/m1/s1
InChIKeyMDEIIOOUUDDQCU-CYBMUJFWSA-N
MW442.83 g/mol
LogP3.45
Rot. Bonds5

About N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide

N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide (PubChem CID 90321966) has the molecular formula C18H18ClF3N6O2 and a molecular weight of 442.83 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide
PubChem CID90321966
Molecular FormulaC18H18ClF3N6O2
Molecular Weight442.83 g/mol
Exact Mass442.11
IUPAC NameN-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide
SMILESCC(C)[C@H]1CN(c2cnc(C(F)(F)F)nc2)C(=O)N1CC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C18H18ClF3N6O2/c1-10(2)13-8-27(12-6-24-16(25-7-12)18(20,21)22)17(30)28(13)9-15(29)26-14-5-11(19)3-4-23-14/h3-7,10,13H,8-9H2,1-2H3,(H,23,26,29)/t13-/m1/s1
InChIKeyMDEIIOOUUDDQCU-CYBMUJFWSA-N
XLogP3.45
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide (CID 90321966) is N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide is CC(C)[C@H]1CN(c2cnc(C(F)(F)F)nc2)C(=O)N1CC(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide?
The InChIKey is MDEIIOOUUDDQCU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClF3N6O2/c1-10(2)13-8-27(12-6-24-16(25-7-12)18(20,21)22)17(30)28(13)9-15(29)26-14-5-11(19)3-4-23-14/h3-7,10,13H,8-9H2,1-2H3,(H,23,26,29)/t13-/m1/s1.
What are the key properties of N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide?
N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide has a molecular weight of 442.83 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 90321966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).