5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

C13H16F3N3 — CID 79953293

IUPAC5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCn1c(CC(N)CCC(F)(F)F)nc2ccccc21
InChIInChI=1S/C13H16F3N3/c1-19-11-5-3-2-4-10(11)18-12(19)8-9(17)6-7-13(14,15)16/h2-5,9H,6-8,17H2,1H3
InChIKeyJANNFUHTTNHJIH-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.79
Rot. Bonds4

About 5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (PubChem CID 79953293) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
PubChem CID79953293
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCn1c(CC(N)CCC(F)(F)F)nc2ccccc21
InChIInChI=1S/C13H16F3N3/c1-19-11-5-3-2-4-10(11)18-12(19)8-9(17)6-7-13(14,15)16/h2-5,9H,6-8,17H2,1H3
InChIKeyJANNFUHTTNHJIH-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (CID 79953293) is 5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is Cn1c(CC(N)CCC(F)(F)F)nc2ccccc21.
What is the InChIKey of 5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The InChIKey is JANNFUHTTNHJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-19-11-5-3-2-4-10(11)18-12(19)8-9(17)6-7-13(14,15)16/h2-5,9H,6-8,17H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine has a molecular weight of 271.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 79953293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).