2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine

C9H14F3N3 — CID 65231047

IUPAC2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCC(CN)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C9H14F3N3/c1-2-3-6(4-13)8-14-5-7(15-8)9(10,11)12/h5-6H,2-4,13H2,1H3,(H,14,15)
InChIKeyKNHGQZLJFXMUTD-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.27
Rot. Bonds4

About 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine

2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 65231047) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine
PubChem CID65231047
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCC(CN)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C9H14F3N3/c1-2-3-6(4-13)8-14-5-7(15-8)9(10,11)12/h5-6H,2-4,13H2,1H3,(H,14,15)
InChIKeyKNHGQZLJFXMUTD-UHFFFAOYSA-N
XLogP2.27
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-4-methylimidazole
CID 70262
2,4-Dimethylimidazole
CID 70259
4(5)-(Trifluoromethyl)imidazole
CID 585891
2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
4-Methyl-2-propyl-1H-imidazole
CID 12199456
2-(2-Isopropyl-1H-imidazol-4-YL)ethylamine
CID 10034813
Histamine, 2-trifluoromethyl-
CID 591273
4-(difluoromethyl)-1H-imidazole
CID 12035266
3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 43650966
5-Methyl-2-(trifluoromethyl)-1H-imidazole
CID 591585
4-Isopropyl-2-methylimidazole
CID 11126255
(4-methyl-1H-imidazol-2-yl)methanamine dihydrochloride
CID 69111410

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine (CID 65231047) is 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine is CCCC(CN)c1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is KNHGQZLJFXMUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-2-3-6(4-13)8-14-5-7(15-8)9(10,11)12/h5-6H,2-4,13H2,1H3,(H,14,15).
What are the key properties of 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine?
2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 221.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 65231047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).