N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide

C11H8F3N3O2 — CID 143860074

IUPACN-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
SMILESO=C(Nc1ccc(O)c(C(F)(F)F)c1)n1ccnc1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)8-5-7(1-2-9(8)18)16-10(19)17-4-3-15-6-17/h1-6,18H,(H,16,19)
InChIKeyYCNGOSODRVLCPV-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.69
Rot. Bonds1

About N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide

N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide (PubChem CID 143860074) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
PubChem CID143860074
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC NameN-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
SMILESO=C(Nc1ccc(O)c(C(F)(F)F)c1)n1ccnc1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)8-5-7(1-2-9(8)18)16-10(19)17-4-3-15-6-17/h1-6,18H,(H,16,19)
InChIKeyYCNGOSODRVLCPV-UHFFFAOYSA-N
XLogP2.69
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide (CID 143860074) is N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide is O=C(Nc1ccc(O)c(C(F)(F)F)c1)n1ccnc1.
What is the InChIKey of N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide?
The InChIKey is YCNGOSODRVLCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)8-5-7(1-2-9(8)18)16-10(19)17-4-3-15-6-17/h1-6,18H,(H,16,19).
What are the key properties of N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide?
N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 143860074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).