2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole

C7H11FN2O — CID 163995343

IUPAC2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole
SMILESCOc1nc(F)[nH]c1C(C)C
InChIInChI=1S/C7H11FN2O/c1-4(2)5-6(11-3)10-7(8)9-5/h4H,1-3H3,(H,9,10)
InChIKeyUEESIOJXFAQELI-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.68
Rot. Bonds2

About 2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole

2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole (PubChem CID 163995343) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole
PubChem CID163995343
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole
SMILESCOc1nc(F)[nH]c1C(C)C
InChIInChI=1S/C7H11FN2O/c1-4(2)5-6(11-3)10-7(8)9-5/h4H,1-3H3,(H,9,10)
InChIKeyUEESIOJXFAQELI-UHFFFAOYSA-N
XLogP1.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole?
The IUPAC name of 2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole (CID 163995343) is 2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole is COc1nc(F)[nH]c1C(C)C.
What is the InChIKey of 2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole?
The InChIKey is UEESIOJXFAQELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-4(2)5-6(11-3)10-7(8)9-5/h4H,1-3H3,(H,9,10).
What are the key properties of 2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole?
2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole has a molecular weight of 158.18 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 163995343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).