4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile

C16H12ClFN4 — CID 133378485

IUPAC4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H12ClFN4/c17-11-2-1-10(9-19)14(7-11)20-6-5-16-21-13-4-3-12(18)8-15(13)22-16/h1-4,7-8,20H,5-6H2,(H,21,22)
InChIKeyZYNZVPYFPZDZEC-UHFFFAOYSA-N
MW314.75 g/mol
LogP3.88
Rot. Bonds4

About 4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile

4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile (PubChem CID 133378485) has the molecular formula C16H12ClFN4 and a molecular weight of 314.75 g/mol. Its IUPAC name is 4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile
PubChem CID133378485
Molecular FormulaC16H12ClFN4
Molecular Weight314.75 g/mol
Exact Mass314.07
IUPAC Name4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H12ClFN4/c17-11-2-1-10(9-19)14(7-11)20-6-5-16-21-13-4-3-12(18)8-15(13)22-16/h1-4,7-8,20H,5-6H2,(H,21,22)
InChIKeyZYNZVPYFPZDZEC-UHFFFAOYSA-N
XLogP3.88
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483851
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile
CID 110194457
4-chloro-2-(decylamino)benzonitrile
CID 64919418
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336950
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine
CID 39801917

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile?
The IUPAC name of 4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile (CID 133378485) is 4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile?
The canonical SMILES for 4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile is N#Cc1ccc(Cl)cc1NCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile?
The InChIKey is ZYNZVPYFPZDZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4/c17-11-2-1-10(9-19)14(7-11)20-6-5-16-21-13-4-3-12(18)8-15(13)22-16/h1-4,7-8,20H,5-6H2,(H,21,22).
What are the key properties of 4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile?
4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile has a molecular weight of 314.75 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile is sourced from PubChem (CID 133378485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).