4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid

C19H14FN5O2 — CID 67954954

IUPAC4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid
SMILESCn1nnc(-c2ccc(F)cc2)c1-c1cn(-c2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C19H14FN5O2/c1-24-18(17(22-23-24)12-2-6-14(20)7-3-12)16-10-25(11-21-16)15-8-4-13(5-9-15)19(26)27/h2-11H,1H3,(H,26,27)
InChIKeyBJTPGCYRTYNHQQ-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.17
Rot. Bonds4

About 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid

4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid (PubChem CID 67954954) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid
PubChem CID67954954
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC Name4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid
SMILESCn1nnc(-c2ccc(F)cc2)c1-c1cn(-c2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C19H14FN5O2/c1-24-18(17(22-23-24)12-2-6-14(20)7-3-12)16-10-25(11-21-16)15-8-4-13(5-9-15)19(26)27/h2-11H,1H3,(H,26,27)
InChIKeyBJTPGCYRTYNHQQ-UHFFFAOYSA-N
XLogP3.17
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid 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

N-6022
CID 44623946
4-(1-Imidazolyl)benzoic Acid
CID 736529
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
2-Imidazol-1-ylmethyl-1,3-dimethyl-1H-indole-5-carboxylic acid
CID 13663102
4-[(3-Phenyltriazolo[4,5-d]pyrimidin-5-yl)amino]benzoic acid
CID 44448320
Methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57390253
2-(1-methyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
CID 86268882
3-Fluoro-4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid
CID 118978640
4-(5-Imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid
CID 118978744
3-Fluoro-4-(4-imidazol-1-ylphenyl)benzoic acid
CID 118978772
4-(5-Imidazol-1-yl-2-pyridinyl)benzoic acid
CID 118978824

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid?
The IUPAC name of 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid (CID 67954954) is 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid?
The canonical SMILES for 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid is Cn1nnc(-c2ccc(F)cc2)c1-c1cn(-c2ccc(C(=O)O)cc2)cn1.
What is the InChIKey of 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid?
The InChIKey is BJTPGCYRTYNHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2/c1-24-18(17(22-23-24)12-2-6-14(20)7-3-12)16-10-25(11-21-16)15-8-4-13(5-9-15)19(26)27/h2-11H,1H3,(H,26,27).
What are the key properties of 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid?
4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid has a molecular weight of 363.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]benzoic acid is sourced from PubChem (CID 67954954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).