3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride

C18H13Cl2FN4 — CID 44532871

IUPAC3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride
SMILESCl.Nc1ncc(-c2ccccc2)cc1-c1nc2cc(Cl)c(F)cc2[nH]1
InChIInChI=1S/C18H12ClFN4.ClH/c19-13-7-15-16(8-14(13)20)24-18(23-15)12-6-11(9-22-17(12)21)10-4-2-1-3-5-10;/h1-9H,(H2,21,22)(H,23,24);1H
InChIKeyCFURAUCFKMEFOX-UHFFFAOYSA-N
MW375.23 g/mol
LogP5.09
Rot. Bonds2

About 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride

3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride (PubChem CID 44532871) has the molecular formula C18H13Cl2FN4 and a molecular weight of 375.23 g/mol. Its IUPAC name is 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride
PubChem CID44532871
Molecular FormulaC18H13Cl2FN4
Molecular Weight375.23 g/mol
Exact Mass374.05
IUPAC Name3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride
SMILESCl.Nc1ncc(-c2ccccc2)cc1-c1nc2cc(Cl)c(F)cc2[nH]1
InChIInChI=1S/C18H12ClFN4.ClH/c19-13-7-15-16(8-14(13)20)24-18(23-15)12-6-11(9-22-17(12)21)10-4-2-1-3-5-10;/h1-9H,(H2,21,22)(H,23,24);1H
InChIKeyCFURAUCFKMEFOX-UHFFFAOYSA-N
XLogP5.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.23
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride?
The IUPAC name of 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride (CID 44532871) is 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride?
The canonical SMILES for 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride is Cl.Nc1ncc(-c2ccccc2)cc1-c1nc2cc(Cl)c(F)cc2[nH]1.
What is the InChIKey of 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride?
The InChIKey is CFURAUCFKMEFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4.ClH/c19-13-7-15-16(8-14(13)20)24-18(23-15)12-6-11(9-22-17(12)21)10-4-2-1-3-5-10;/h1-9H,(H2,21,22)(H,23,24);1H.
What are the key properties of 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride?
3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride has a molecular weight of 375.23 g/mol, XLogP of 5.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 44532871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).