6-(1H-imidazol-5-yl)-3,3-dimethylindole

C13H13N3 — CID 174955710

IUPAC6-(1H-imidazol-5-yl)-3,3-dimethylindole
SMILESCC1(C)C=Nc2cc(-c3cnc[nH]3)ccc21
InChIInChI=1S/C13H13N3/c1-13(2)7-15-11-5-9(3-4-10(11)13)12-6-14-8-16-12/h3-8H,1-2H3,(H,14,16)
InChIKeyPRESJLZSAUYNOK-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.07
Rot. Bonds1

About 6-(1H-imidazol-5-yl)-3,3-dimethylindole

6-(1H-imidazol-5-yl)-3,3-dimethylindole (PubChem CID 174955710) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 6-(1H-imidazol-5-yl)-3,3-dimethylindole.

Molecular Properties

Compound Name6-(1H-imidazol-5-yl)-3,3-dimethylindole
PubChem CID174955710
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name6-(1H-imidazol-5-yl)-3,3-dimethylindole
SMILESCC1(C)C=Nc2cc(-c3cnc[nH]3)ccc21
InChIInChI=1S/C13H13N3/c1-13(2)7-15-11-5-9(3-4-10(11)13)12-6-14-8-16-12/h3-8H,1-2H3,(H,14,16)
InChIKeyPRESJLZSAUYNOK-UHFFFAOYSA-N
XLogP3.07
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-5-yl)-3,3-dimethylindole?
The IUPAC name of 6-(1H-imidazol-5-yl)-3,3-dimethylindole (CID 174955710) is 6-(1H-imidazol-5-yl)-3,3-dimethylindole.
What is the SMILES notation for 6-(1H-imidazol-5-yl)-3,3-dimethylindole?
The canonical SMILES for 6-(1H-imidazol-5-yl)-3,3-dimethylindole is CC1(C)C=Nc2cc(-c3cnc[nH]3)ccc21.
What is the InChIKey of 6-(1H-imidazol-5-yl)-3,3-dimethylindole?
The InChIKey is PRESJLZSAUYNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-13(2)7-15-11-5-9(3-4-10(11)13)12-6-14-8-16-12/h3-8H,1-2H3,(H,14,16).
What are the key properties of 6-(1H-imidazol-5-yl)-3,3-dimethylindole?
6-(1H-imidazol-5-yl)-3,3-dimethylindole has a molecular weight of 211.27 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-5-yl)-3,3-dimethylindole is sourced from PubChem (CID 174955710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).