6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole

C12H14BrN3 — CID 144634253

IUPAC6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole
SMILESCC1CCC(c2nc3ccc(Br)cc3[nH]2)N1
InChIInChI=1S/C12H14BrN3/c1-7-2-4-10(14-7)12-15-9-5-3-8(13)6-11(9)16-12/h3,5-7,10,14H,2,4H2,1H3,(H,15,16)
InChIKeyGFYGPDVJGWFUBP-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.14
Rot. Bonds1

About 6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole

6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole (PubChem CID 144634253) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole
PubChem CID144634253
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole
SMILESCC1CCC(c2nc3ccc(Br)cc3[nH]2)N1
InChIInChI=1S/C12H14BrN3/c1-7-2-4-10(14-7)12-15-9-5-3-8(13)6-11(9)16-12/h3,5-7,10,14H,2,4H2,1H3,(H,15,16)
InChIKeyGFYGPDVJGWFUBP-UHFFFAOYSA-N
XLogP3.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[2-[(2S,5R)-5-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline
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6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole
CID 123588844
5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole
CID 75991860

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole (CID 144634253) is 6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole is CC1CCC(c2nc3ccc(Br)cc3[nH]2)N1.
What is the InChIKey of 6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole?
The InChIKey is GFYGPDVJGWFUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-7-2-4-10(14-7)12-15-9-5-3-8(13)6-11(9)16-12/h3,5-7,10,14H,2,4H2,1H3,(H,15,16).
What are the key properties of 6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole?
6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole has a molecular weight of 280.17 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole is sourced from PubChem (CID 144634253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).