2-bromo-1-(piperidin-4-ylmethyl)benzimidazole

C13H16BrN3 — CID 84815298

IUPAC2-bromo-1-(piperidin-4-ylmethyl)benzimidazole
SMILESBrc1nc2ccccc2n1CC1CCNCC1
InChIInChI=1S/C13H16BrN3/c14-13-16-11-3-1-2-4-12(11)17(13)9-10-5-7-15-8-6-10/h1-4,10,15H,5-9H2
InChIKeyRHMNKWAKNHTEDI-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.80
Rot. Bonds2

About 2-bromo-1-(piperidin-4-ylmethyl)benzimidazole

2-bromo-1-(piperidin-4-ylmethyl)benzimidazole (PubChem CID 84815298) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-bromo-1-(piperidin-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-bromo-1-(piperidin-4-ylmethyl)benzimidazole
PubChem CID84815298
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name2-bromo-1-(piperidin-4-ylmethyl)benzimidazole
SMILESBrc1nc2ccccc2n1CC1CCNCC1
InChIInChI=1S/C13H16BrN3/c14-13-16-11-3-1-2-4-12(11)17(13)9-10-5-7-15-8-6-10/h1-4,10,15H,5-9H2
InChIKeyRHMNKWAKNHTEDI-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(piperidin-4-ylmethyl)benzimidazole?
The IUPAC name of 2-bromo-1-(piperidin-4-ylmethyl)benzimidazole (CID 84815298) is 2-bromo-1-(piperidin-4-ylmethyl)benzimidazole.
What is the SMILES notation for 2-bromo-1-(piperidin-4-ylmethyl)benzimidazole?
The canonical SMILES for 2-bromo-1-(piperidin-4-ylmethyl)benzimidazole is Brc1nc2ccccc2n1CC1CCNCC1.
What is the InChIKey of 2-bromo-1-(piperidin-4-ylmethyl)benzimidazole?
The InChIKey is RHMNKWAKNHTEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c14-13-16-11-3-1-2-4-12(11)17(13)9-10-5-7-15-8-6-10/h1-4,10,15H,5-9H2.
What are the key properties of 2-bromo-1-(piperidin-4-ylmethyl)benzimidazole?
2-bromo-1-(piperidin-4-ylmethyl)benzimidazole has a molecular weight of 294.20 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(piperidin-4-ylmethyl)benzimidazole is sourced from PubChem (CID 84815298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).