5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine

C16H13BrFN3 — CID 107853135

IUPAC5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1C1Cc2ccccc2C1
InChIInChI=1S/C16H13BrFN3/c17-12-7-14-15(8-13(12)18)21(16(19)20-14)11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11H,5-6H2,(H2,19,20)
InChIKeyDQICLDONUMYPNO-UHFFFAOYSA-N
MW346.20 g/mol
LogP3.86
Rot. Bonds1

About 5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine

5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine (PubChem CID 107853135) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine
PubChem CID107853135
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1C1Cc2ccccc2C1
InChIInChI=1S/C16H13BrFN3/c17-12-7-14-15(8-13(12)18)21(16(19)20-14)11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11H,5-6H2,(H2,19,20)
InChIKeyDQICLDONUMYPNO-UHFFFAOYSA-N
XLogP3.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine (CID 107853135) is 5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine is Nc1nc2cc(Br)c(F)cc2n1C1Cc2ccccc2C1.
What is the InChIKey of 5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine?
The InChIKey is DQICLDONUMYPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-12-7-14-15(8-13(12)18)21(16(19)20-14)11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11H,5-6H2,(H2,19,20).
What are the key properties of 5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine?
5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine has a molecular weight of 346.20 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 107853135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).