1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole

C14H23F3N2 — CID 22891118

IUPAC1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole
SMILESCC(C)CCCCn1cc(C(C)C)nc1C(F)(F)F
InChIInChI=1S/C14H23F3N2/c1-10(2)7-5-6-8-19-9-12(11(3)4)18-13(19)14(15,16)17/h9-11H,5-8H2,1-4H3
InChIKeyPXRIHTFFFNHVTN-UHFFFAOYSA-N
MW276.35 g/mol
LogP4.85
Rot. Bonds6

About 1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole

1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole (PubChem CID 22891118) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole
PubChem CID22891118
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole
SMILESCC(C)CCCCn1cc(C(C)C)nc1C(F)(F)F
InChIInChI=1S/C14H23F3N2/c1-10(2)7-5-6-8-19-9-12(11(3)4)18-13(19)14(15,16)17/h9-11H,5-8H2,1-4H3
InChIKeyPXRIHTFFFNHVTN-UHFFFAOYSA-N
XLogP4.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclopropylmethyl-5-isobutyl-1H-imidazole
CID 10329901
3-Isopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 9855566
5-cyclopropyl-1-methyl-1H-imidazole
CID 116811639
(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 124710767
(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 124710768
2-(2-Cyclohexyl-1-methylimidazol-4-yl)ethanamine
CID 44292153
2-[1-Methyl-2-(propan-2-yl)-1H-imidazol-4-yl]ethan-1-amine
CID 44292160
1-Cyclopropyl-5-(2,2-dimethyl-propyl)-1H-imidazole
CID 44345726
1-Cyclopropylmethyl-5-propyl-1H-imidazole
CID 44345898
5-(2-Methylpropyl)-1-octylimidazol-2-amine;hydrochloride
CID 54752931
5-(2-Methylpropyl)-1-pentylimidazol-2-amine;hydrochloride
CID 56663227
2-(2-Cyclobutyl-5-methyl-1H-imidazol-1-YL)ethan-1-amine
CID 91911587

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole?
The IUPAC name of 1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole (CID 22891118) is 1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole is CC(C)CCCCn1cc(C(C)C)nc1C(F)(F)F.
What is the InChIKey of 1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole?
The InChIKey is PXRIHTFFFNHVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-10(2)7-5-6-8-19-9-12(11(3)4)18-13(19)14(15,16)17/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole?
1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole has a molecular weight of 276.35 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 22891118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).