2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine

C16H22N4 — CID 63235578

IUPAC2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine
SMILESCc1nccn1CCN1CC(CCN)c2ccccc21
InChIInChI=1S/C16H22N4/c1-13-18-8-9-19(13)10-11-20-12-14(6-7-17)15-4-2-3-5-16(15)20/h2-5,8-9,14H,6-7,10-12,17H2,1H3
InChIKeyVQBHEBPKEJQJSR-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.14
Rot. Bonds5

About 2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine

2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine (PubChem CID 63235578) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine
PubChem CID63235578
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine
SMILESCc1nccn1CCN1CC(CCN)c2ccccc21
InChIInChI=1S/C16H22N4/c1-13-18-8-9-19(13)10-11-20-12-14(6-7-17)15-4-2-3-5-16(15)20/h2-5,8-9,14H,6-7,10-12,17H2,1H3
InChIKeyVQBHEBPKEJQJSR-UHFFFAOYSA-N
XLogP2.14
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine 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-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine (CID 63235578) is 2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine is Cc1nccn1CCN1CC(CCN)c2ccccc21.
What is the InChIKey of 2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine?
The InChIKey is VQBHEBPKEJQJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-18-8-9-19(13)10-11-20-12-14(6-7-17)15-4-2-3-5-16(15)20/h2-5,8-9,14H,6-7,10-12,17H2,1H3.
What are the key properties of 2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine?
2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 63235578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).