1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole

C15H17N3 — CID 63811754

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole
SMILESCCn1ccnc1Cn1c(C)cc2ccccc21
InChIInChI=1S/C15H17N3/c1-3-17-9-8-16-15(17)11-18-12(2)10-13-6-4-5-7-14(13)18/h4-10H,3,11H2,1-2H3
InChIKeyMYECYNJAEVZECU-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.21
Rot. Bonds3

About 1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole

1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole (PubChem CID 63811754) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole
PubChem CID63811754
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole
SMILESCCn1ccnc1Cn1c(C)cc2ccccc21
InChIInChI=1S/C15H17N3/c1-3-17-9-8-16-15(17)11-18-12(2)10-13-6-4-5-7-14(13)18/h4-10H,3,11H2,1-2H3
InChIKeyMYECYNJAEVZECU-UHFFFAOYSA-N
XLogP3.21
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole 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 1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole (CID 63811754) is 1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole is CCn1ccnc1Cn1c(C)cc2ccccc21.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole?
The InChIKey is MYECYNJAEVZECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-3-17-9-8-16-15(17)11-18-12(2)10-13-6-4-5-7-14(13)18/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole?
1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole has a molecular weight of 239.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole is sourced from PubChem (CID 63811754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).