4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole

C13H12BrN3 — CID 138691353

IUPAC4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole
SMILESCCn1cncc1-c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C13H12BrN3/c1-2-17-8-15-7-12(17)9-6-16-11-5-3-4-10(14)13(9)11/h3-8,16H,2H2,1H3
InChIKeyFUXOIHQPNNGGOW-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.81
Rot. Bonds2

About 4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole

4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole (PubChem CID 138691353) has the molecular formula C13H12BrN3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole.

Molecular Properties

Compound Name4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole
PubChem CID138691353
Molecular FormulaC13H12BrN3
Molecular Weight290.16 g/mol
Exact Mass289.02
IUPAC Name4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole
SMILESCCn1cncc1-c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C13H12BrN3/c1-2-17-8-15-7-12(17)9-6-16-11-5-3-4-10(14)13(9)11/h3-8,16H,2H2,1H3
InChIKeyFUXOIHQPNNGGOW-UHFFFAOYSA-N
XLogP3.81
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole?
The IUPAC name of 4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole (CID 138691353) is 4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole.
What is the SMILES notation for 4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole?
The canonical SMILES for 4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole is CCn1cncc1-c1c[nH]c2cccc(Br)c12.
What is the InChIKey of 4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole?
The InChIKey is FUXOIHQPNNGGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3/c1-2-17-8-15-7-12(17)9-6-16-11-5-3-4-10(14)13(9)11/h3-8,16H,2H2,1H3.
What are the key properties of 4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole?
4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole has a molecular weight of 290.16 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole is sourced from PubChem (CID 138691353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).