2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine

C14H15BrN4 — CID 116835069

IUPAC2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2ccccc2c1C(CN)c1ncc(Br)[nH]1
InChIInChI=1S/C14H15BrN4/c1-8-13(9-4-2-3-5-11(9)18-8)10(6-16)14-17-7-12(15)19-14/h2-5,7,10,18H,6,16H2,1H3,(H,17,19)
InChIKeyXCYOOEKMWJIXER-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.05
Rot. Bonds3

About 2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine

2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 116835069) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine
PubChem CID116835069
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2ccccc2c1C(CN)c1ncc(Br)[nH]1
InChIInChI=1S/C14H15BrN4/c1-8-13(9-4-2-3-5-11(9)18-8)10(6-16)14-17-7-12(15)19-14/h2-5,7,10,18H,6,16H2,1H3,(H,17,19)
InChIKeyXCYOOEKMWJIXER-UHFFFAOYSA-N
XLogP3.05
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine (CID 116835069) is 2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine is Cc1[nH]c2ccccc2c1C(CN)c1ncc(Br)[nH]1.
What is the InChIKey of 2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is XCYOOEKMWJIXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c1-8-13(9-4-2-3-5-11(9)18-8)10(6-16)14-17-7-12(15)19-14/h2-5,7,10,18H,6,16H2,1H3,(H,17,19).
What are the key properties of 2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine?
2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 319.21 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 116835069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).