2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine

C16H16BrN3 — CID 104547190

IUPAC2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1-c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H16BrN3/c1-18-9-8-11-4-2-3-5-13(11)16-19-14-7-6-12(17)10-15(14)20-16/h2-7,10,18H,8-9H2,1H3,(H,19,20)
InChIKeyYHFMHDLHHHSCEY-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.75
Rot. Bonds4

About 2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine

2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine (PubChem CID 104547190) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine
PubChem CID104547190
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1-c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H16BrN3/c1-18-9-8-11-4-2-3-5-13(11)16-19-14-7-6-12(17)10-15(14)20-16/h2-7,10,18H,8-9H2,1H3,(H,19,20)
InChIKeyYHFMHDLHHHSCEY-UHFFFAOYSA-N
XLogP3.75
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine (CID 104547190) is 2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine is CNCCc1ccccc1-c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine?
The InChIKey is YHFMHDLHHHSCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-18-9-8-11-4-2-3-5-13(11)16-19-14-7-6-12(17)10-15(14)20-16/h2-7,10,18H,8-9H2,1H3,(H,19,20).
What are the key properties of 2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine?
2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine has a molecular weight of 330.23 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 104547190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).