5-bromo-3-(3-methylimidazol-4-yl)-1H-indole

C12H10BrN3 — CID 155543250

IUPAC5-bromo-3-(3-methylimidazol-4-yl)-1H-indole
SMILESCn1cncc1-c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C12H10BrN3/c1-16-7-14-6-12(16)10-5-15-11-3-2-8(13)4-9(10)11/h2-7,15H,1H3
InChIKeyNGEGVUWXHYDOQM-UHFFFAOYSA-N
MW276.14 g/mol
LogP3.33
Rot. Bonds1

About 5-bromo-3-(3-methylimidazol-4-yl)-1H-indole

5-bromo-3-(3-methylimidazol-4-yl)-1H-indole (PubChem CID 155543250) has the molecular formula C12H10BrN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is 5-bromo-3-(3-methylimidazol-4-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(3-methylimidazol-4-yl)-1H-indole
PubChem CID155543250
Molecular FormulaC12H10BrN3
Molecular Weight276.14 g/mol
Exact Mass275.01
IUPAC Name5-bromo-3-(3-methylimidazol-4-yl)-1H-indole
SMILESCn1cncc1-c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C12H10BrN3/c1-16-7-14-6-12(16)10-5-15-11-3-2-8(13)4-9(10)11/h2-7,15H,1H3
InChIKeyNGEGVUWXHYDOQM-UHFFFAOYSA-N
XLogP3.33
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-methylimidazol-4-yl)-1H-indole?
The IUPAC name of 5-bromo-3-(3-methylimidazol-4-yl)-1H-indole (CID 155543250) is 5-bromo-3-(3-methylimidazol-4-yl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(3-methylimidazol-4-yl)-1H-indole?
The canonical SMILES for 5-bromo-3-(3-methylimidazol-4-yl)-1H-indole is Cn1cncc1-c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-(3-methylimidazol-4-yl)-1H-indole?
The InChIKey is NGEGVUWXHYDOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3/c1-16-7-14-6-12(16)10-5-15-11-3-2-8(13)4-9(10)11/h2-7,15H,1H3.
What are the key properties of 5-bromo-3-(3-methylimidazol-4-yl)-1H-indole?
5-bromo-3-(3-methylimidazol-4-yl)-1H-indole has a molecular weight of 276.14 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-methylimidazol-4-yl)-1H-indole is sourced from PubChem (CID 155543250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).