4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole

C16H18FN5 — CID 172716717

IUPAC4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole
SMILESCC(C)(C)Cn1cnc(-c2n[nH]nc2-c2ccc(F)cc2)c1
InChIInChI=1S/C16H18FN5/c1-16(2,3)9-22-8-13(18-10-22)15-14(19-21-20-15)11-4-6-12(17)7-5-11/h4-8,10H,9H2,1-3H3,(H,19,20,21)
InChIKeyFYOGTJXYJPCXDI-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.52
Rot. Bonds3

About 4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole

4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole (PubChem CID 172716717) has the molecular formula C16H18FN5 and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole.

Molecular Properties

Compound Name4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole
PubChem CID172716717
Molecular FormulaC16H18FN5
Molecular Weight299.35 g/mol
Exact Mass299.15
IUPAC Name4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole
SMILESCC(C)(C)Cn1cnc(-c2n[nH]nc2-c2ccc(F)cc2)c1
InChIInChI=1S/C16H18FN5/c1-16(2,3)9-22-8-13(18-10-22)15-14(19-21-20-15)11-4-6-12(17)7-5-11/h4-8,10H,9H2,1-3H3,(H,19,20,21)
InChIKeyFYOGTJXYJPCXDI-UHFFFAOYSA-N
XLogP3.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole with MolForge

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

Launch Full Analysis

Related Compounds

4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole
CID 172843445
1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane
CID 145149010
2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460612
2-[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460613
4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole
CID 155674758
4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole
CID 58390305
4-(2,4-difluorophenyl)-1-ethylimidazole
CID 141121326
2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121454363
[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine
CID 73293375
4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole
CID 59430202
4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine
CID 121384506
4-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole
CID 22675228

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole?
The IUPAC name of 4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole (CID 172716717) is 4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole.
What is the SMILES notation for 4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole?
The canonical SMILES for 4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole is CC(C)(C)Cn1cnc(-c2n[nH]nc2-c2ccc(F)cc2)c1.
What is the InChIKey of 4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole?
The InChIKey is FYOGTJXYJPCXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5/c1-16(2,3)9-22-8-13(18-10-22)15-14(19-21-20-15)11-4-6-12(17)7-5-11/h4-8,10H,9H2,1-3H3,(H,19,20,21).
What are the key properties of 4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole?
4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole has a molecular weight of 299.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole is sourced from PubChem (CID 172716717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).