7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole

C10H10BrFN2 — CID 123857775

IUPAC7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESFC1Cc2nc3n(c2C=C1Br)CCC3
InChIInChI=1S/C10H10BrFN2/c11-6-4-9-8(5-7(6)12)13-10-2-1-3-14(9)10/h4,7H,1-3,5H2
InChIKeyOWFLUIGPGCFZPX-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.46
Rot. Bonds

About 7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole

7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole (PubChem CID 123857775) has the molecular formula C10H10BrFN2 and a molecular weight of 257.11 g/mol. Its IUPAC name is 7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole
PubChem CID123857775
Molecular FormulaC10H10BrFN2
Molecular Weight257.11 g/mol
Exact Mass256.00
IUPAC Name7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESFC1Cc2nc3n(c2C=C1Br)CCC3
InChIInChI=1S/C10H10BrFN2/c11-6-4-9-8(5-7(6)12)13-10-2-1-3-14(9)10/h4,7H,1-3,5H2
InChIKeyOWFLUIGPGCFZPX-UHFFFAOYSA-N
XLogP2.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole?
The IUPAC name of 7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole (CID 123857775) is 7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole.
What is the SMILES notation for 7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole?
The canonical SMILES for 7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole is FC1Cc2nc3n(c2C=C1Br)CCC3.
What is the InChIKey of 7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole?
The InChIKey is OWFLUIGPGCFZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2/c11-6-4-9-8(5-7(6)12)13-10-2-1-3-14(9)10/h4,7H,1-3,5H2.
What are the key properties of 7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole?
7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole has a molecular weight of 257.11 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 123857775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).