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

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Related Compounds

6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
N-methyl-2-[2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine
CID 104547214
2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 65017722
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
N'-[3-(1H-benzimidazol-2-yl)-6-bromoquinolin-4-yl]-N-methylethane-1,2-diamine
CID 141086374
2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
CID 81432484
6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 64723329
6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 66841439
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147
6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 81454880
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123

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).