3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole

C14H15N3O — CID 138691338

IUPAC3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole
SMILESCCn1cncc1-c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C14H15N3O/c1-3-17-9-15-8-14(17)12-7-16-13-5-4-10(18-2)6-11(12)13/h4-9,16H,3H2,1-2H3
InChIKeyWPSIPVCJWLGMEF-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.06
Rot. Bonds3

About 3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole

3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole (PubChem CID 138691338) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole
PubChem CID138691338
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole
SMILESCCn1cncc1-c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C14H15N3O/c1-3-17-9-15-8-14(17)12-7-16-13-5-4-10(18-2)6-11(12)13/h4-9,16H,3H2,1-2H3
InChIKeyWPSIPVCJWLGMEF-UHFFFAOYSA-N
XLogP3.06
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole?
The IUPAC name of 3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole (CID 138691338) is 3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole.
What is the SMILES notation for 3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole?
The canonical SMILES for 3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole is CCn1cncc1-c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of 3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole?
The InChIKey is WPSIPVCJWLGMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-17-9-15-8-14(17)12-7-16-13-5-4-10(18-2)6-11(12)13/h4-9,16H,3H2,1-2H3.
What are the key properties of 3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole?
3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole has a molecular weight of 241.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylimidazol-4-yl)-5-methoxy-1H-indole is sourced from PubChem (CID 138691338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).