5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine

C14H12ClFN4 — CID 66077919

IUPAC5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
SMILESCC(c1ccccn1)n1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C14H12ClFN4/c1-8(11-4-2-3-5-18-11)20-13-7-10(16)9(15)6-12(13)19-14(20)17/h2-8H,1H3,(H2,17,19)
InChIKeyRLTYHYHQBIHEKT-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.42
Rot. Bonds2

About 5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine

5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine (PubChem CID 66077919) has the molecular formula C14H12ClFN4 and a molecular weight of 290.73 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
PubChem CID66077919
Molecular FormulaC14H12ClFN4
Molecular Weight290.73 g/mol
Exact Mass290.07
IUPAC Name5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
SMILESCC(c1ccccn1)n1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C14H12ClFN4/c1-8(11-4-2-3-5-18-11)20-13-7-10(16)9(15)6-12(13)19-14(20)17/h2-8H,1H3,(H2,17,19)
InChIKeyRLTYHYHQBIHEKT-UHFFFAOYSA-N
XLogP3.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)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-(1-pyridin-2-ylethyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine (CID 66077919) is 5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine is CC(c1ccccn1)n1c(N)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine?
The InChIKey is RLTYHYHQBIHEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4/c1-8(11-4-2-3-5-18-11)20-13-7-10(16)9(15)6-12(13)19-14(20)17/h2-8H,1H3,(H2,17,19).
What are the key properties of 5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine?
5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine has a molecular weight of 290.73 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 66077919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).