5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole

C13H15FN2OS — CID 66152667

IUPAC5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole
SMILESCCCn1cncc1CS(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2OS/c1-2-7-16-10-15-8-11(16)9-18(17)13-6-4-3-5-12(13)14/h3-6,8,10H,2,7,9H2,1H3
InChIKeyMZXGASKBAZOBPD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.74
Rot. Bonds5

About 5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole

5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole (PubChem CID 66152667) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole
PubChem CID66152667
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole
SMILESCCCn1cncc1CS(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2OS/c1-2-7-16-10-15-8-11(16)9-18(17)13-6-4-3-5-12(13)14/h3-6,8,10H,2,7,9H2,1H3
InChIKeyMZXGASKBAZOBPD-UHFFFAOYSA-N
XLogP2.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]aniline
CID 131632262
1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole
CID 66146349
N-methyl-4-[(3-propylimidazol-4-yl)methylsulfinyl]aniline
CID 138665669
2-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]isoindole-1,3-dione
CID 168518306
1-fluoro-2-propylsulfinylbenzene
CID 64717305
2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 114254514
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192
2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129397
2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133336
dimethyl 1-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]azepine-2,3-dicarboxylate
CID 168648756
2-(difluoromethylsulfanyl)-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133125
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole?
The IUPAC name of 5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole (CID 66152667) is 5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole?
The canonical SMILES for 5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole is CCCn1cncc1CS(=O)c1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole?
The InChIKey is MZXGASKBAZOBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-2-7-16-10-15-8-11(16)9-18(17)13-6-4-3-5-12(13)14/h3-6,8,10H,2,7,9H2,1H3.
What are the key properties of 5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole?
5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole has a molecular weight of 266.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)sulfinylmethyl]-1-propylimidazole is sourced from PubChem (CID 66152667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).