5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine

C15H12ClF2N3 — CID 66078679

IUPAC5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1CCc1ccc(F)cc1
InChIInChI=1S/C15H12ClF2N3/c16-11-7-13-14(8-12(11)18)21(15(19)20-13)6-5-9-1-3-10(17)4-2-9/h1-4,7-8H,5-6H2,(H2,19,20)
InChIKeyJBMXLTLEZKLTHM-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.79
Rot. Bonds3

About 5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine

5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine (PubChem CID 66078679) has the molecular formula C15H12ClF2N3 and a molecular weight of 307.73 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine
PubChem CID66078679
Molecular FormulaC15H12ClF2N3
Molecular Weight307.73 g/mol
Exact Mass307.07
IUPAC Name5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1CCc1ccc(F)cc1
InChIInChI=1S/C15H12ClF2N3/c16-11-7-13-14(8-12(11)18)21(15(19)20-13)6-5-9-1-3-10(17)4-2-9/h1-4,7-8H,5-6H2,(H2,19,20)
InChIKeyJBMXLTLEZKLTHM-UHFFFAOYSA-N
XLogP3.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66099992
5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine
CID 66076958
5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008434
1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
CID 43661501
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
5-chloro-6-fluoro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520923
5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66078721
5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine
CID 66078119
5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326375
6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406198
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine
CID 61380518

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine (CID 66078679) is 5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine is Nc1nc2cc(Cl)c(F)cc2n1CCc1ccc(F)cc1.
What is the InChIKey of 5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine?
The InChIKey is JBMXLTLEZKLTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3/c16-11-7-13-14(8-12(11)18)21(15(19)20-13)6-5-9-1-3-10(17)4-2-9/h1-4,7-8H,5-6H2,(H2,19,20).
What are the key properties of 5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine?
5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine has a molecular weight of 307.73 g/mol, XLogP of 3.79, 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-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 66078679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).