4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid

C12H10ClFN2O3 — CID 107689823

IUPAC4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid
SMILESCn1c(Cl)cnc1COc1ccc(C(=O)O)cc1F
InChIInChI=1S/C12H10ClFN2O3/c1-16-10(13)5-15-11(16)6-19-9-3-2-7(12(17)18)4-8(9)14/h2-5H,6H2,1H3,(H,17,18)
InChIKeyHRJAZUDNWMQTGC-UHFFFAOYSA-N
MW284.67 g/mol
LogP2.49
Rot. Bonds4

About 4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid

4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid (PubChem CID 107689823) has the molecular formula C12H10ClFN2O3 and a molecular weight of 284.67 g/mol. Its IUPAC name is 4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid
PubChem CID107689823
Molecular FormulaC12H10ClFN2O3
Molecular Weight284.67 g/mol
Exact Mass284.04
IUPAC Name4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid
SMILESCn1c(Cl)cnc1COc1ccc(C(=O)O)cc1F
InChIInChI=1S/C12H10ClFN2O3/c1-16-10(13)5-15-11(16)6-19-9-3-2-7(12(17)18)4-8(9)14/h2-5H,6H2,1H3,(H,17,18)
InChIKeyHRJAZUDNWMQTGC-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid 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 4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid?
The IUPAC name of 4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid (CID 107689823) is 4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid is Cn1c(Cl)cnc1COc1ccc(C(=O)O)cc1F.
What is the InChIKey of 4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid?
The InChIKey is HRJAZUDNWMQTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O3/c1-16-10(13)5-15-11(16)6-19-9-3-2-7(12(17)18)4-8(9)14/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid?
4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid has a molecular weight of 284.67 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid is sourced from PubChem (CID 107689823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).