6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole

C14H17BrN2 — CID 64723733

IUPAC6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole
SMILESBrc1ccc2nc(CCC3CCCC3)[nH]c2c1
InChIInChI=1S/C14H17BrN2/c15-11-6-7-12-13(9-11)17-14(16-12)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,16,17)
InChIKeyOPTMCGPUTGQFIP-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.45
Rot. Bonds3

About 6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole

6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole (PubChem CID 64723733) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole
PubChem CID64723733
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole
SMILESBrc1ccc2nc(CCC3CCCC3)[nH]c2c1
InChIInChI=1S/C14H17BrN2/c15-11-6-7-12-13(9-11)17-14(16-12)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,16,17)
InChIKeyOPTMCGPUTGQFIP-UHFFFAOYSA-N
XLogP4.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole (CID 64723733) is 6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole is Brc1ccc2nc(CCC3CCCC3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole?
The InChIKey is OPTMCGPUTGQFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c15-11-6-7-12-13(9-11)17-14(16-12)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,16,17).
What are the key properties of 6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole?
6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole has a molecular weight of 293.21 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole is sourced from PubChem (CID 64723733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).