5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine

C13H17ClFN3 — CID 66076948

IUPAC5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine
SMILESCC(C)CC(C)n1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C13H17ClFN3/c1-7(2)4-8(3)18-12-6-10(15)9(14)5-11(12)17-13(18)16/h5-8H,4H2,1-3H3,(H2,16,17)
InChIKeyDFYFRZJNCFEQRC-UHFFFAOYSA-N
MW269.75 g/mol
LogP4.02
Rot. Bonds3

About 5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine

5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine (PubChem CID 66076948) has the molecular formula C13H17ClFN3 and a molecular weight of 269.75 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine
PubChem CID66076948
Molecular FormulaC13H17ClFN3
Molecular Weight269.75 g/mol
Exact Mass269.11
IUPAC Name5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine
SMILESCC(C)CC(C)n1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C13H17ClFN3/c1-7(2)4-8(3)18-12-6-10(15)9(14)5-11(12)17-13(18)16/h5-8H,4H2,1-3H3,(H2,16,17)
InChIKeyDFYFRZJNCFEQRC-UHFFFAOYSA-N
XLogP4.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine 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-1-(4-methylpentan-2-yl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine (CID 66076948) is 5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine is CC(C)CC(C)n1c(N)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine?
The InChIKey is DFYFRZJNCFEQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3/c1-7(2)4-8(3)18-12-6-10(15)9(14)5-11(12)17-13(18)16/h5-8H,4H2,1-3H3,(H2,16,17).
What are the key properties of 5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine?
5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine has a molecular weight of 269.75 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 66076948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).