5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole

C14H11BrFN3 — CID 114289884

IUPAC5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole
SMILESFc1cc2[nH]c(CCc3cccnc3)nc2cc1Br
InChIInChI=1S/C14H11BrFN3/c15-10-6-12-13(7-11(10)16)19-14(18-12)4-3-9-2-1-5-17-8-9/h1-2,5-8H,3-4H2,(H,18,19)
InChIKeyGGTVDZPBDALCKL-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.64
Rot. Bonds3

About 5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole

5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole (PubChem CID 114289884) has the molecular formula C14H11BrFN3 and a molecular weight of 320.17 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole
PubChem CID114289884
Molecular FormulaC14H11BrFN3
Molecular Weight320.17 g/mol
Exact Mass319.01
IUPAC Name5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole
SMILESFc1cc2[nH]c(CCc3cccnc3)nc2cc1Br
InChIInChI=1S/C14H11BrFN3/c15-10-6-12-13(7-11(10)16)19-14(18-12)4-3-9-2-1-5-17-8-9/h1-2,5-8H,3-4H2,(H,18,19)
InChIKeyGGTVDZPBDALCKL-UHFFFAOYSA-N
XLogP3.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole?
The IUPAC name of 5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole (CID 114289884) is 5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole is Fc1cc2[nH]c(CCc3cccnc3)nc2cc1Br.
What is the InChIKey of 5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole?
The InChIKey is GGTVDZPBDALCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3/c15-10-6-12-13(7-11(10)16)19-14(18-12)4-3-9-2-1-5-17-8-9/h1-2,5-8H,3-4H2,(H,18,19).
What are the key properties of 5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole?
5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole has a molecular weight of 320.17 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole is sourced from PubChem (CID 114289884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).