2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole

C14H16FN3 — CID 125449065

IUPAC2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole
SMILESCC1(C)CN[C@@H]1c1nccn1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3/c1-14(2)9-17-12(14)13-16-7-8-18(13)11-5-3-10(15)4-6-11/h3-8,12,17H,9H2,1-2H3/t12-/m1/s1
InChIKeyILAZHIVURBJOCO-GFCCVEGCSA-N
MW245.30 g/mol
LogP2.68
Rot. Bonds2

About 2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole

2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole (PubChem CID 125449065) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole.

Molecular Properties

Compound Name2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole
PubChem CID125449065
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole
SMILESCC1(C)CN[C@@H]1c1nccn1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3/c1-14(2)9-17-12(14)13-16-7-8-18(13)11-5-3-10(15)4-6-11/h3-8,12,17H,9H2,1-2H3/t12-/m1/s1
InChIKeyILAZHIVURBJOCO-GFCCVEGCSA-N
XLogP2.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole?
The IUPAC name of 2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole (CID 125449065) is 2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole.
What is the SMILES notation for 2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole?
The canonical SMILES for 2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole is CC1(C)CN[C@@H]1c1nccn1-c1ccc(F)cc1.
What is the InChIKey of 2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole?
The InChIKey is ILAZHIVURBJOCO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16FN3/c1-14(2)9-17-12(14)13-16-7-8-18(13)11-5-3-10(15)4-6-11/h3-8,12,17H,9H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole?
2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole has a molecular weight of 245.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole is sourced from PubChem (CID 125449065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).