1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

C16H12ClF4N3O — CID 3447807

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2Cl)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H12ClF4N3O/c17-13-7-12(18)3-1-10(13)9-23-5-6-24(15(23)25)14-4-2-11(8-22-14)16(19,20)21/h1-4,7-8H,5-6,9H2
InChIKeyHZYDJYNWAHUWCH-UHFFFAOYSA-N
MW373.74 g/mol
LogP4.34
Rot. Bonds3

About 1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 3447807) has the molecular formula C16H12ClF4N3O and a molecular weight of 373.74 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID3447807
Molecular FormulaC16H12ClF4N3O
Molecular Weight373.74 g/mol
Exact Mass373.06
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2Cl)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H12ClF4N3O/c17-13-7-12(18)3-1-10(13)9-23-5-6-24(15(23)25)14-4-2-11(8-22-14)16(19,20)21/h1-4,7-8H,5-6,9H2
InChIKeyHZYDJYNWAHUWCH-UHFFFAOYSA-N
XLogP4.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.74
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 3447807) is 1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is O=C1N(Cc2ccc(F)cc2Cl)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is HZYDJYNWAHUWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF4N3O/c17-13-7-12(18)3-1-10(13)9-23-5-6-24(15(23)25)14-4-2-11(8-22-14)16(19,20)21/h1-4,7-8H,5-6,9H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 373.74 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 3447807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).