2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole

C9H17FN2 — CID 146392659

IUPAC2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole
SMILESCC1=C(C(C)C)N(C)C(F)N1C
InChIInChI=1S/C9H17FN2/c1-6(2)8-7(3)11(4)9(10)12(8)5/h6,9H,1-5H3
InChIKeyFDYGXOOYUQVPRT-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.00
Rot. Bonds1

About 2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole

2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole (PubChem CID 146392659) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole
PubChem CID146392659
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole
SMILESCC1=C(C(C)C)N(C)C(F)N1C
InChIInChI=1S/C9H17FN2/c1-6(2)8-7(3)11(4)9(10)12(8)5/h6,9H,1-5H3
InChIKeyFDYGXOOYUQVPRT-UHFFFAOYSA-N
XLogP2.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole?
The IUPAC name of 2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole (CID 146392659) is 2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole.
What is the SMILES notation for 2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole?
The canonical SMILES for 2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole is CC1=C(C(C)C)N(C)C(F)N1C.
What is the InChIKey of 2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole?
The InChIKey is FDYGXOOYUQVPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-6(2)8-7(3)11(4)9(10)12(8)5/h6,9H,1-5H3.
What are the key properties of 2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole?
2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole has a molecular weight of 172.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3,4-trimethyl-5-propan-2-yl-2H-imidazole is sourced from PubChem (CID 146392659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).