5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine

C11H11ClF3N3 — CID 115520874

IUPAC5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1CCCC(F)(F)F
InChIInChI=1S/C11H11ClF3N3/c12-7-2-3-9-8(6-7)17-10(16)18(9)5-1-4-11(13,14)15/h2-3,6H,1,4-5H2,(H2,16,17)
InChIKeyJWFGTPZYIAJZSL-UHFFFAOYSA-N
MW277.68 g/mol
LogP3.61
Rot. Bonds3

About 5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine

5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine (PubChem CID 115520874) has the molecular formula C11H11ClF3N3 and a molecular weight of 277.68 g/mol. Its IUPAC name is 5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine
PubChem CID115520874
Molecular FormulaC11H11ClF3N3
Molecular Weight277.68 g/mol
Exact Mass277.06
IUPAC Name5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1CCCC(F)(F)F
InChIInChI=1S/C11H11ClF3N3/c12-7-2-3-9-8(6-7)17-10(16)18(9)5-1-4-11(13,14)15/h2-3,6H,1,4-5H2,(H2,16,17)
InChIKeyJWFGTPZYIAJZSL-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520901
5-chloro-6-fluoro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520923
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
1-(2-amino-5-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053647
6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520922
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine
CID 63828806
6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine
CID 66100609
5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine
CID 63826682
5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 107164637
5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine
CID 54964595

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine (CID 115520874) is 5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine is Nc1nc2cc(Cl)ccc2n1CCCC(F)(F)F.
What is the InChIKey of 5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine?
The InChIKey is JWFGTPZYIAJZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3/c12-7-2-3-9-8(6-7)17-10(16)18(9)5-1-4-11(13,14)15/h2-3,6H,1,4-5H2,(H2,16,17).
What are the key properties of 5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine?
5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine has a molecular weight of 277.68 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine is sourced from PubChem (CID 115520874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).