5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine

C15H19ClFN3 — CID 66078119

IUPAC5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1CCC1CCCCC1
InChIInChI=1S/C15H19ClFN3/c16-11-8-13-14(9-12(11)17)20(15(18)19-13)7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H2,18,19)
InChIKeyYYPRDOFWYQAXMD-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.38
Rot. Bonds3

About 5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine

5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine (PubChem CID 66078119) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine
PubChem CID66078119
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1CCC1CCCCC1
InChIInChI=1S/C15H19ClFN3/c16-11-8-13-14(9-12(11)17)20(15(18)19-13)7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H2,18,19)
InChIKeyYYPRDOFWYQAXMD-UHFFFAOYSA-N
XLogP4.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-fluoro-1-[2-(3-methylcyclohexyl)ethyl]benzimidazol-2-amine
CID 66079290
1-(2-cyclopentylethyl)-5-fluorobenzimidazol-2-amine
CID 54932894
5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 66078129
5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine
CID 66077538
5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine
CID 66077162
5-chloro-6-fluoro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520923
1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine
CID 54932950
5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326375
5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine
CID 66078679
6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
CID 106431752
5,6-dichloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479149
5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 114101070

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine (CID 66078119) is 5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine is Nc1nc2cc(Cl)c(F)cc2n1CCC1CCCCC1.
What is the InChIKey of 5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is YYPRDOFWYQAXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c16-11-8-13-14(9-12(11)17)20(15(18)19-13)7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H2,18,19).
What are the key properties of 5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine?
5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine has a molecular weight of 295.79 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66078119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).