5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine

C12H13ClF3N3 — CID 115520901

IUPAC5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1CCCCC(F)(F)F
InChIInChI=1S/C12H13ClF3N3/c13-8-3-4-10-9(7-8)18-11(17)19(10)6-2-1-5-12(14,15)16/h3-4,7H,1-2,5-6H2,(H2,17,18)
InChIKeyZWQYFNRRUCSCJB-UHFFFAOYSA-N
MW291.70 g/mol
LogP4.00
Rot. Bonds4

About 5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine

5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine (PubChem CID 115520901) has the molecular formula C12H13ClF3N3 and a molecular weight of 291.70 g/mol. Its IUPAC name is 5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
PubChem CID115520901
Molecular FormulaC12H13ClF3N3
Molecular Weight291.70 g/mol
Exact Mass291.08
IUPAC Name5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1CCCCC(F)(F)F
InChIInChI=1S/C12H13ClF3N3/c13-8-3-4-10-9(7-8)18-11(17)19(10)6-2-1-5-12(14,15)16/h3-4,7H,1-2,5-6H2,(H2,17,18)
InChIKeyZWQYFNRRUCSCJB-UHFFFAOYSA-N
XLogP4.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine
CID 115520874
5-chloro-6-fluoro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520923
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520922
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
1-(2-amino-5-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053647
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
6-chloro-3-(5,5,5-trifluoropentyl)-1H-benzimidazole-2-thione
CID 115520840
5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine
CID 63828806
5-chloro-2-(chloromethyl)-1-(4-fluorobutyl)benzimidazole
CID 67992653
6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine
CID 66100609
5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine
CID 63826682

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine (CID 115520901) is 5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine is Nc1nc2cc(Cl)ccc2n1CCCCC(F)(F)F.
What is the InChIKey of 5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine?
The InChIKey is ZWQYFNRRUCSCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3/c13-8-3-4-10-9(7-8)18-11(17)19(10)6-2-1-5-12(14,15)16/h3-4,7H,1-2,5-6H2,(H2,17,18).
What are the key properties of 5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine?
5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine has a molecular weight of 291.70 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine is sourced from PubChem (CID 115520901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).