5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine

C15H17ClFN3 — CID 66077162

IUPAC5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1CC(C1CC1)C1CC1
InChIInChI=1S/C15H17ClFN3/c16-11-5-13-14(6-12(11)17)20(15(18)19-13)7-10(8-1-2-8)9-3-4-9/h5-6,8-10H,1-4,7H2,(H2,18,19)
InChIKeyXXJQTILWVQYFQM-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.85
Rot. Bonds4

About 5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine

5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine (PubChem CID 66077162) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine
PubChem CID66077162
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1CC(C1CC1)C1CC1
InChIInChI=1S/C15H17ClFN3/c16-11-5-13-14(6-12(11)17)20(15(18)19-13)7-10(8-1-2-8)9-3-4-9/h5-6,8-10H,1-4,7H2,(H2,18,19)
InChIKeyXXJQTILWVQYFQM-UHFFFAOYSA-N
XLogP3.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine
CID 116738400
5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine
CID 66078119
5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine
CID 66077538
5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 66078129
5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 114101070
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 114186520
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate
CID 66078295
5-chloro-6-fluoro-1-[2-(3-methylcyclohexyl)ethyl]benzimidazol-2-amine
CID 66079290
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
5-chloro-6-fluoro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520923

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine (CID 66077162) is 5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine is Nc1nc2cc(Cl)c(F)cc2n1CC(C1CC1)C1CC1.
What is the InChIKey of 5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is XXJQTILWVQYFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c16-11-5-13-14(6-12(11)17)20(15(18)19-13)7-10(8-1-2-8)9-3-4-9/h5-6,8-10H,1-4,7H2,(H2,18,19).
What are the key properties of 5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine?
5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine has a molecular weight of 293.77 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66077162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).