5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde

C16H19FN2O3 — CID 87886417

IUPAC5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde
SMILESCOC(OC)c1[nH]c(C=O)nc1C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3/c1-16(2,10-5-7-11(17)8-6-10)14-13(15(21-3)22-4)18-12(9-20)19-14/h5-9,15H,1-4H3,(H,18,19)
InChIKeyRDTMFWKRTCUWHE-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.98
Rot. Bonds6

About 5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde

5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde (PubChem CID 87886417) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde
PubChem CID87886417
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde
SMILESCOC(OC)c1[nH]c(C=O)nc1C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3/c1-16(2,10-5-7-11(17)8-6-10)14-13(15(21-3)22-4)18-12(9-20)19-14/h5-9,15H,1-4H3,(H,18,19)
InChIKeyRDTMFWKRTCUWHE-UHFFFAOYSA-N
XLogP2.98
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde?
The IUPAC name of 5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde (CID 87886417) is 5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde is COC(OC)c1[nH]c(C=O)nc1C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde?
The InChIKey is RDTMFWKRTCUWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-16(2,10-5-7-11(17)8-6-10)14-13(15(21-3)22-4)18-12(9-20)19-14/h5-9,15H,1-4H3,(H,18,19).
What are the key properties of 5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde?
5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde has a molecular weight of 306.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 87886417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).