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

C13H15BrN2 — CID 107180157

IUPAC6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole
SMILESCC1CCCC1c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C13H15BrN2/c1-8-3-2-4-10(8)13-15-11-6-5-9(14)7-12(11)16-13/h5-8,10H,2-4H2,1H3,(H,15,16)
InChIKeyUHKRGJSXXQVBKE-UHFFFAOYSA-N
MW279.18 g/mol
LogP4.23
Rot. Bonds1

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

6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole (PubChem CID 107180157) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole
PubChem CID107180157
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole
SMILESCC1CCCC1c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C13H15BrN2/c1-8-3-2-4-10(8)13-15-11-6-5-9(14)7-12(11)16-13/h5-8,10H,2-4H2,1H3,(H,15,16)
InChIKeyUHKRGJSXXQVBKE-UHFFFAOYSA-N
XLogP4.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 54.23
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-methylcyclopentyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole (CID 107180157) is 6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole is CC1CCCC1c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole?
The InChIKey is UHKRGJSXXQVBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-8-3-2-4-10(8)13-15-11-6-5-9(14)7-12(11)16-13/h5-8,10H,2-4H2,1H3,(H,15,16).
What are the key properties of 6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole?
6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole has a molecular weight of 279.18 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole is sourced from PubChem (CID 107180157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).