1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole

C13H13FN2OS — CID 66146349

IUPAC1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole
SMILESO=S(Cc1cncn1C1CC1)c1ccccc1F
InChIInChI=1S/C13H13FN2OS/c14-12-3-1-2-4-13(12)18(17)8-11-7-15-9-16(11)10-5-6-10/h1-4,7,9-10H,5-6,8H2
InChIKeyZAGBMAJYEMNBBH-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.66
Rot. Bonds4

About 1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole

1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole (PubChem CID 66146349) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole
PubChem CID66146349
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole
SMILESO=S(Cc1cncn1C1CC1)c1ccccc1F
InChIInChI=1S/C13H13FN2OS/c14-12-3-1-2-4-13(12)18(17)8-11-7-15-9-16(11)10-5-6-10/h1-4,7,9-10H,5-6,8H2
InChIKeyZAGBMAJYEMNBBH-UHFFFAOYSA-N
XLogP2.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole?
The IUPAC name of 1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole (CID 66146349) is 1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole.
What is the SMILES notation for 1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole?
The canonical SMILES for 1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole is O=S(Cc1cncn1C1CC1)c1ccccc1F.
What is the InChIKey of 1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole?
The InChIKey is ZAGBMAJYEMNBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c14-12-3-1-2-4-13(12)18(17)8-11-7-15-9-16(11)10-5-6-10/h1-4,7,9-10H,5-6,8H2.
What are the key properties of 1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole?
1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole has a molecular weight of 264.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[(2-fluorophenyl)sulfinylmethyl]imidazole is sourced from PubChem (CID 66146349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).