6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole

C14H18BrN3 — CID 55178535

IUPAC6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole
SMILESCCC1(c2nc3ccc(Br)cc3[nH]2)CCNCC1
InChIInChI=1S/C14H18BrN3/c1-2-14(5-7-16-8-6-14)13-17-11-4-3-10(15)9-12(11)18-13/h3-4,9,16H,2,5-8H2,1H3,(H,17,18)
InChIKeyVVFQGNSDMYRDEJ-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.36
Rot. Bonds2

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

6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole (PubChem CID 55178535) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole
PubChem CID55178535
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole
SMILESCCC1(c2nc3ccc(Br)cc3[nH]2)CCNCC1
InChIInChI=1S/C14H18BrN3/c1-2-14(5-7-16-8-6-14)13-17-11-4-3-10(15)9-12(11)18-13/h3-4,9,16H,2,5-8H2,1H3,(H,17,18)
InChIKeyVVFQGNSDMYRDEJ-UHFFFAOYSA-N
XLogP3.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole (CID 55178535) is 6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole is CCC1(c2nc3ccc(Br)cc3[nH]2)CCNCC1.
What is the InChIKey of 6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole?
The InChIKey is VVFQGNSDMYRDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-2-14(5-7-16-8-6-14)13-17-11-4-3-10(15)9-12(11)18-13/h3-4,9,16H,2,5-8H2,1H3,(H,17,18).
What are the key properties of 6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole?
6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole has a molecular weight of 308.22 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole is sourced from PubChem (CID 55178535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).