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

C6H9FN2 — CID 146392910

IUPAC5-fluoro-2-propan-2-yl-1H-imidazole
SMILESCC(C)c1ncc(F)[nH]1
InChIInChI=1S/C6H9FN2/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3,(H,8,9)
InChIKeyDHVINPOUPDFXLM-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.67
Rot. Bonds1

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

5-fluoro-2-propan-2-yl-1H-imidazole (PubChem CID 146392910) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-fluoro-2-propan-2-yl-1H-imidazole
PubChem CID146392910
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name5-fluoro-2-propan-2-yl-1H-imidazole
SMILESCC(C)c1ncc(F)[nH]1
InChIInChI=1S/C6H9FN2/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3,(H,8,9)
InChIKeyDHVINPOUPDFXLM-UHFFFAOYSA-N
XLogP1.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-di(propan-2-yl)-1H-imidazole
CID 161147285
2-propan-2-yl-1H-imidazole-5-carbothialdehyde
CID 45095924
5-iodo-2-propan-2-yl-1H-pyrimidin-6-one
CID 60835497
5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen
CID 169266743
2-propan-2-yl-1H-imidazole-5-sulfonic acid
CID 19864190
2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol
CID 115031921
N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide
CID 131063419
N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-sulfonamide
CID 124569932
1-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethanethiol
CID 130194909
2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol
CID 58360789
5-[(3E)-5,5-difluoro-4-methylpenta-1,3-dien-2-yl]-2-propan-2-yl-1H-imidazole
CID 142298610
5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole
CID 174154504

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propan-2-yl-1H-imidazole?
The IUPAC name of 5-fluoro-2-propan-2-yl-1H-imidazole (CID 146392910) is 5-fluoro-2-propan-2-yl-1H-imidazole.
What is the SMILES notation for 5-fluoro-2-propan-2-yl-1H-imidazole?
The canonical SMILES for 5-fluoro-2-propan-2-yl-1H-imidazole is CC(C)c1ncc(F)[nH]1.
What is the InChIKey of 5-fluoro-2-propan-2-yl-1H-imidazole?
The InChIKey is DHVINPOUPDFXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3,(H,8,9).
What are the key properties of 5-fluoro-2-propan-2-yl-1H-imidazole?
5-fluoro-2-propan-2-yl-1H-imidazole has a molecular weight of 128.15 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propan-2-yl-1H-imidazole is sourced from PubChem (CID 146392910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).