6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole

C13H16BrN3 — CID 104574247

IUPAC6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(C3(C)CCCN3)nc12
InChIInChI=1S/C13H16BrN3/c1-8-6-9(14)7-10-11(8)17-12(16-10)13(2)4-3-5-15-13/h6-7,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyVNFNHERHWIIMPS-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.23
Rot. Bonds1

About 6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole

6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole (PubChem CID 104574247) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole
PubChem CID104574247
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(C3(C)CCCN3)nc12
InChIInChI=1S/C13H16BrN3/c1-8-6-9(14)7-10-11(8)17-12(16-10)13(2)4-3-5-15-13/h6-7,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyVNFNHERHWIIMPS-UHFFFAOYSA-N
XLogP3.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole?
The IUPAC name of 6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole (CID 104574247) is 6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole is Cc1cc(Br)cc2[nH]c(C3(C)CCCN3)nc12.
What is the InChIKey of 6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole?
The InChIKey is VNFNHERHWIIMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-8-6-9(14)7-10-11(8)17-12(16-10)13(2)4-3-5-15-13/h6-7,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole?
6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole has a molecular weight of 294.20 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole is sourced from PubChem (CID 104574247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).