5-pentyl-2-(trifluoromethyl)-1H-imidazole

C9H13F3N2 — CID 67746767

IUPAC5-pentyl-2-(trifluoromethyl)-1H-imidazole
SMILESCCCCCc1cnc(C(F)(F)F)[nH]1
InChIInChI=1S/C9H13F3N2/c1-2-3-4-5-7-6-13-8(14-7)9(10,11)12/h6H,2-5H2,1H3,(H,13,14)
InChIKeyMCNIXJWNGLSZFP-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.16
Rot. Bonds4

About 5-pentyl-2-(trifluoromethyl)-1H-imidazole

5-pentyl-2-(trifluoromethyl)-1H-imidazole (PubChem CID 67746767) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-pentyl-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-pentyl-2-(trifluoromethyl)-1H-imidazole
PubChem CID67746767
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name5-pentyl-2-(trifluoromethyl)-1H-imidazole
SMILESCCCCCc1cnc(C(F)(F)F)[nH]1
InChIInChI=1S/C9H13F3N2/c1-2-3-4-5-7-6-13-8(14-7)9(10,11)12/h6H,2-5H2,1H3,(H,13,14)
InChIKeyMCNIXJWNGLSZFP-UHFFFAOYSA-N
XLogP3.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Burimamide
CID 3032915
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
Immepip
CID 3035842
2-Methylhistamine
CID 91613
alpha-methylhistamine, (R)-
CID 156615
1H-Imidazole-4-pentanamine
CID 9793868
2-((1S,2S)-2-(1H-Imidazol-4-yl)cyclopropyl)ethanamine
CID 10154137
2-((1R,2R)-2-(1H-Imidazol-5-yl)cyclopropyl)ethanamine
CID 11829635
4-(1H-imidazol-4-yl)butanamine
CID 13499360
1H-Imidazole-5-propanamine
CID 170389
1-[4-(1H-imidazol-4-yl)butyl]-3-propan-2-ylthiourea
CID 10060213
Improgan
CID 10058807

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-pentyl-2-(trifluoromethyl)-1H-imidazole (CID 67746767) is 5-pentyl-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-pentyl-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-pentyl-2-(trifluoromethyl)-1H-imidazole is CCCCCc1cnc(C(F)(F)F)[nH]1.
What is the InChIKey of 5-pentyl-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is MCNIXJWNGLSZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-2-3-4-5-7-6-13-8(14-7)9(10,11)12/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-pentyl-2-(trifluoromethyl)-1H-imidazole?
5-pentyl-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 206.21 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 67746767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).