2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde

C14H13F3N2O — CID 142674645

IUPAC2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
SMILESCC(C)c1nc(C=O)cn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O/c1-9(2)13-18-10(8-20)7-19(13)12-6-4-3-5-11(12)14(15,16)17/h3-9H,1-2H3
InChIKeyRKTHKRGXPCOVAI-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.83
Rot. Bonds3

About 2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde

2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde (PubChem CID 142674645) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
PubChem CID142674645
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
SMILESCC(C)c1nc(C=O)cn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O/c1-9(2)13-18-10(8-20)7-19(13)12-6-4-3-5-11(12)14(15,16)17/h3-9H,1-2H3
InChIKeyRKTHKRGXPCOVAI-UHFFFAOYSA-N
XLogP3.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
The IUPAC name of 2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde (CID 142674645) is 2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde.
What is the SMILES notation for 2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
The canonical SMILES for 2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde is CC(C)c1nc(C=O)cn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
The InChIKey is RKTHKRGXPCOVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-9(2)13-18-10(8-20)7-19(13)12-6-4-3-5-11(12)14(15,16)17/h3-9H,1-2H3.
What are the key properties of 2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde has a molecular weight of 282.26 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde is sourced from PubChem (CID 142674645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).