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

C12H11N3 — CID 792486

IUPAC3-(imidazol-1-ylmethyl)-1H-indole
SMILESc1ccc2c(Cn3ccnc3)c[nH]c2c1
InChIInChI=1S/C12H11N3/c1-2-4-12-11(3-1)10(7-14-12)8-15-6-5-13-9-15/h1-7,9,14H,8H2
InChIKeyFRADTKAUXQUOIJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.41
Rot. Bonds2

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

3-(imidazol-1-ylmethyl)-1H-indole (PubChem CID 792486) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-1H-indole.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-1H-indole
PubChem CID792486
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name3-(imidazol-1-ylmethyl)-1H-indole
SMILESc1ccc2c(Cn3ccnc3)c[nH]c2c1
InChIInChI=1S/C12H11N3/c1-2-4-12-11(3-1)10(7-14-12)8-15-6-5-13-9-15/h1-7,9,14H,8H2
InChIKeyFRADTKAUXQUOIJ-UHFFFAOYSA-N
XLogP2.41
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-1H-indole?
The IUPAC name of 3-(imidazol-1-ylmethyl)-1H-indole (CID 792486) is 3-(imidazol-1-ylmethyl)-1H-indole.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-1H-indole?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-1H-indole is c1ccc2c(Cn3ccnc3)c[nH]c2c1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-1H-indole?
The InChIKey is FRADTKAUXQUOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-2-4-12-11(3-1)10(7-14-12)8-15-6-5-13-9-15/h1-7,9,14H,8H2.
What are the key properties of 3-(imidazol-1-ylmethyl)-1H-indole?
3-(imidazol-1-ylmethyl)-1H-indole has a molecular weight of 197.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-1H-indole is sourced from PubChem (CID 792486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).