6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole

C19H14FN3S — CID 121349989

IUPAC6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
SMILESFc1ccc(-c2nc3n(c2-c2ccc4ncsc4c2)CCC3)cc1
InChIInChI=1S/C19H14FN3S/c20-14-6-3-12(4-7-14)18-19(23-9-1-2-17(23)22-18)13-5-8-15-16(10-13)24-11-21-15/h3-8,10-11H,1-2,9H2
InChIKeyLVXSTDSUNVQEIS-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.91
Rot. Bonds2

About 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole

6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole (PubChem CID 121349989) has the molecular formula C19H14FN3S and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
PubChem CID121349989
Molecular FormulaC19H14FN3S
Molecular Weight335.41 g/mol
Exact Mass335.09
IUPAC Name6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
SMILESFc1ccc(-c2nc3n(c2-c2ccc4ncsc4c2)CCC3)cc1
InChIInChI=1S/C19H14FN3S/c20-14-6-3-12(4-7-14)18-19(23-9-1-2-17(23)22-18)13-5-8-15-16(10-13)24-11-21-15/h3-8,10-11H,1-2,9H2
InChIKeyLVXSTDSUNVQEIS-UHFFFAOYSA-N
XLogP4.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole?
The IUPAC name of 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole (CID 121349989) is 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole?
The canonical SMILES for 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole is Fc1ccc(-c2nc3n(c2-c2ccc4ncsc4c2)CCC3)cc1.
What is the InChIKey of 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole?
The InChIKey is LVXSTDSUNVQEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3S/c20-14-6-3-12(4-7-14)18-19(23-9-1-2-17(23)22-18)13-5-8-15-16(10-13)24-11-21-15/h3-8,10-11H,1-2,9H2.
What are the key properties of 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole?
6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole has a molecular weight of 335.41 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 121349989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).