3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine

C18H12ClFN4 — CID 44532901

IUPAC3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc(F)cc2)cc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H12ClFN4/c19-12-3-6-15-16(8-12)24-18(23-15)14-7-11(9-22-17(14)21)10-1-4-13(20)5-2-10/h1-9H,(H2,21,22)(H,23,24)
InChIKeyYFLTUWIQCUGQAN-UHFFFAOYSA-N
MW338.77 g/mol
LogP4.67
Rot. Bonds2

About 3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine

3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine (PubChem CID 44532901) has the molecular formula C18H12ClFN4 and a molecular weight of 338.77 g/mol. Its IUPAC name is 3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine
PubChem CID44532901
Molecular FormulaC18H12ClFN4
Molecular Weight338.77 g/mol
Exact Mass338.07
IUPAC Name3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc(F)cc2)cc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H12ClFN4/c19-12-3-6-15-16(8-12)24-18(23-15)14-7-11(9-22-17(14)21)10-1-4-13(20)5-2-10/h1-9H,(H2,21,22)(H,23,24)
InChIKeyYFLTUWIQCUGQAN-UHFFFAOYSA-N
XLogP4.67
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-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

Related Compounds

Pexidartinib
CID 25151352
L-745870
CID 5311200
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634
6-Chloro-2-(2-pyridinyl)-1H-benzimidazole
CID 186763
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
2-(5-Ethyl-2-pyridyl)benzimidazole
CID 49746
2-(6-chloropyridin-3-yl)-1H-1,3-benzodiazole
CID 1488390
2,4-Disubstituted Pyrimidine 2i
CID 5329422
2,4-Disubstituted Pyrimidine 2j
CID 5329423
6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538774
6-(4-chlorophenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538792

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine?
The IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine (CID 44532901) is 3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine is Nc1ncc(-c2ccc(F)cc2)cc1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine?
The InChIKey is YFLTUWIQCUGQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4/c19-12-3-6-15-16(8-12)24-18(23-15)14-7-11(9-22-17(14)21)10-1-4-13(20)5-2-10/h1-9H,(H2,21,22)(H,23,24).
What are the key properties of 3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine?
3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine has a molecular weight of 338.77 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 44532901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).