7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole

C13H16BrN3 — CID 84815254

IUPAC7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole
SMILESCc1nc2cccc(Br)c2n1C1CCCNC1
InChIInChI=1S/C13H16BrN3/c1-9-16-12-6-2-5-11(14)13(12)17(9)10-4-3-7-15-8-10/h2,5-6,10,15H,3-4,7-8H2,1H3
InChIKeyICWKJZICDPIGRS-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.03
Rot. Bonds1

About 7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole

7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole (PubChem CID 84815254) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole.

Molecular Properties

Compound Name7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole
PubChem CID84815254
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole
SMILESCc1nc2cccc(Br)c2n1C1CCCNC1
InChIInChI=1S/C13H16BrN3/c1-9-16-12-6-2-5-11(14)13(12)17(9)10-4-3-7-15-8-10/h2,5-6,10,15H,3-4,7-8H2,1H3
InChIKeyICWKJZICDPIGRS-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole?
The IUPAC name of 7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole (CID 84815254) is 7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole.
What is the SMILES notation for 7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole?
The canonical SMILES for 7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole is Cc1nc2cccc(Br)c2n1C1CCCNC1.
What is the InChIKey of 7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole?
The InChIKey is ICWKJZICDPIGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-16-12-6-2-5-11(14)13(12)17(9)10-4-3-7-15-8-10/h2,5-6,10,15H,3-4,7-8H2,1H3.
What are the key properties of 7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole?
7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole has a molecular weight of 294.20 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole is sourced from PubChem (CID 84815254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).