1-ethyl-3-(imidazol-1-ylmethyl)indole

C14H15N3 — CID 10331244

IUPAC1-ethyl-3-(imidazol-1-ylmethyl)indole
SMILESCCn1cc(Cn2ccnc2)c2ccccc21
InChIInChI=1S/C14H15N3/c1-2-17-10-12(9-16-8-7-15-11-16)13-5-3-4-6-14(13)17/h3-8,10-11H,2,9H2,1H3
InChIKeyKIIFZBAPVHIJQJ-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.91
Rot. Bonds3

About 1-ethyl-3-(imidazol-1-ylmethyl)indole

1-ethyl-3-(imidazol-1-ylmethyl)indole (PubChem CID 10331244) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-ethyl-3-(imidazol-1-ylmethyl)indole.

Molecular Properties

Compound Name1-ethyl-3-(imidazol-1-ylmethyl)indole
PubChem CID10331244
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name1-ethyl-3-(imidazol-1-ylmethyl)indole
SMILESCCn1cc(Cn2ccnc2)c2ccccc21
InChIInChI=1S/C14H15N3/c1-2-17-10-12(9-16-8-7-15-11-16)13-5-3-4-6-14(13)17/h3-8,10-11H,2,9H2,1H3
InChIKeyKIIFZBAPVHIJQJ-UHFFFAOYSA-N
XLogP2.91
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(imidazol-1-ylmethyl)indole?
The IUPAC name of 1-ethyl-3-(imidazol-1-ylmethyl)indole (CID 10331244) is 1-ethyl-3-(imidazol-1-ylmethyl)indole.
What is the SMILES notation for 1-ethyl-3-(imidazol-1-ylmethyl)indole?
The canonical SMILES for 1-ethyl-3-(imidazol-1-ylmethyl)indole is CCn1cc(Cn2ccnc2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-(imidazol-1-ylmethyl)indole?
The InChIKey is KIIFZBAPVHIJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-17-10-12(9-16-8-7-15-11-16)13-5-3-4-6-14(13)17/h3-8,10-11H,2,9H2,1H3.
What are the key properties of 1-ethyl-3-(imidazol-1-ylmethyl)indole?
1-ethyl-3-(imidazol-1-ylmethyl)indole has a molecular weight of 225.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(imidazol-1-ylmethyl)indole is sourced from PubChem (CID 10331244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).