5-chloro-6-fluoro-2-methoxy-1H-benzimidazole

C8H6ClFN2O — CID 131079725

IUPAC5-chloro-6-fluoro-2-methoxy-1H-benzimidazole
SMILESCOc1nc2cc(Cl)c(F)cc2[nH]1
InChIInChI=1S/C8H6ClFN2O/c1-13-8-11-6-2-4(9)5(10)3-7(6)12-8/h2-3H,1H3,(H,11,12)
InChIKeyRNBKBJOSUFZEAW-UHFFFAOYSA-N
MW200.60 g/mol
LogP2.36
Rot. Bonds1

About 5-chloro-6-fluoro-2-methoxy-1H-benzimidazole

5-chloro-6-fluoro-2-methoxy-1H-benzimidazole (PubChem CID 131079725) has the molecular formula C8H6ClFN2O and a molecular weight of 200.60 g/mol. Its IUPAC name is 5-chloro-6-fluoro-2-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-6-fluoro-2-methoxy-1H-benzimidazole
PubChem CID131079725
Molecular FormulaC8H6ClFN2O
Molecular Weight200.60 g/mol
Exact Mass200.02
IUPAC Name5-chloro-6-fluoro-2-methoxy-1H-benzimidazole
SMILESCOc1nc2cc(Cl)c(F)cc2[nH]1
InChIInChI=1S/C8H6ClFN2O/c1-13-8-11-6-2-4(9)5(10)3-7(6)12-8/h2-3H,1H3,(H,11,12)
InChIKeyRNBKBJOSUFZEAW-UHFFFAOYSA-N
XLogP2.36
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.60
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-6-fluoro-2-methoxy-1H-benzimidazole 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-chloro-6-fluoro-2-methoxy-1H-benzimidazole?
The IUPAC name of 5-chloro-6-fluoro-2-methoxy-1H-benzimidazole (CID 131079725) is 5-chloro-6-fluoro-2-methoxy-1H-benzimidazole.
What is the SMILES notation for 5-chloro-6-fluoro-2-methoxy-1H-benzimidazole?
The canonical SMILES for 5-chloro-6-fluoro-2-methoxy-1H-benzimidazole is COc1nc2cc(Cl)c(F)cc2[nH]1.
What is the InChIKey of 5-chloro-6-fluoro-2-methoxy-1H-benzimidazole?
The InChIKey is RNBKBJOSUFZEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN2O/c1-13-8-11-6-2-4(9)5(10)3-7(6)12-8/h2-3H,1H3,(H,11,12).
What are the key properties of 5-chloro-6-fluoro-2-methoxy-1H-benzimidazole?
5-chloro-6-fluoro-2-methoxy-1H-benzimidazole has a molecular weight of 200.60 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-2-methoxy-1H-benzimidazole is sourced from PubChem (CID 131079725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).