6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one

C8H6ClFN2O — CID 137458512

IUPAC6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(Cl)cc(F)c21
InChIInChI=1S/C8H6ClFN2O/c1-12-7-5(10)2-4(9)3-6(7)11-8(12)13/h2-3H,1H3,(H,11,13)
InChIKeyJNKXKMMJFYJMDY-UHFFFAOYSA-N
MW200.60 g/mol
LogP1.66
Rot. Bonds

About 6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one

6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one (PubChem CID 137458512) has the molecular formula C8H6ClFN2O and a molecular weight of 200.60 g/mol. Its IUPAC name is 6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one
PubChem CID137458512
Molecular FormulaC8H6ClFN2O
Molecular Weight200.60 g/mol
Exact Mass200.02
IUPAC Name6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(Cl)cc(F)c21
InChIInChI=1S/C8H6ClFN2O/c1-12-7-5(10)2-4(9)3-6(7)11-8(12)13/h2-3H,1H3,(H,11,13)
InChIKeyJNKXKMMJFYJMDY-UHFFFAOYSA-N
XLogP1.66
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.60
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one 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 6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one (CID 137458512) is 6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2cc(Cl)cc(F)c21.
What is the InChIKey of 6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one?
The InChIKey is JNKXKMMJFYJMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN2O/c1-12-7-5(10)2-4(9)3-6(7)11-8(12)13/h2-3H,1H3,(H,11,13).
What are the key properties of 6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one?
6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one has a molecular weight of 200.60 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 137458512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).