2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde

C11H7F3N2O — CID 10847621

IUPAC2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)8-3-1-7(2-4-8)10-15-5-9(6-17)16-10/h1-6H,(H,15,16)
InChIKeyCCTLLAYXGKNJES-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.91
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde

2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde (PubChem CID 10847621) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde
PubChem CID10847621
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)8-3-1-7(2-4-8)10-15-5-9(6-17)16-10/h1-6H,(H,15,16)
InChIKeyCCTLLAYXGKNJES-UHFFFAOYSA-N
XLogP2.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde (CID 10847621) is 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde is O=Cc1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde?
The InChIKey is CCTLLAYXGKNJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)8-3-1-7(2-4-8)10-15-5-9(6-17)16-10/h1-6H,(H,15,16).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde?
2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde has a molecular weight of 240.18 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde is sourced from PubChem (CID 10847621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).