4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one

C15H10ClF3N4O — CID 2962129

IUPAC4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=NC1(Nc1ccc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C15H10ClF3N4O/c16-10-6-7-11(20-8-10)22-14(15(17,18)19)13(24)21-12(23-14)9-4-2-1-3-5-9/h1-8H,(H,20,22)(H,21,23,24)
InChIKeyNLTIAFOPZHZEPC-UHFFFAOYSA-N
MW354.72 g/mol
LogP2.98
Rot. Bonds3

About 4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one

4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one (PubChem CID 2962129) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
PubChem CID2962129
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC Name4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=NC1(Nc1ccc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C15H10ClF3N4O/c16-10-6-7-11(20-8-10)22-14(15(17,18)19)13(24)21-12(23-14)9-4-2-1-3-5-9/h1-8H,(H,20,22)(H,21,23,24)
InChIKeyNLTIAFOPZHZEPC-UHFFFAOYSA-N
XLogP2.98
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one (CID 2962129) is 4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one is O=C1NC(c2ccccc2)=NC1(Nc1ccc(Cl)cn1)C(F)(F)F.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The InChIKey is NLTIAFOPZHZEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c16-10-6-7-11(20-8-10)22-14(15(17,18)19)13(24)21-12(23-14)9-4-2-1-3-5-9/h1-8H,(H,20,22)(H,21,23,24).
What are the key properties of 4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one has a molecular weight of 354.72 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one is sourced from PubChem (CID 2962129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).