5-(1H-imidazol-2-ylmethyl)-1H-indole

C12H11N3 — CID 66707386

IUPAC5-(1H-imidazol-2-ylmethyl)-1H-indole
SMILESc1c[nH]c(Cc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C12H11N3/c1-2-11-10(3-4-13-11)7-9(1)8-12-14-5-6-15-12/h1-7,13H,8H2,(H,14,15)
InChIKeyDGWHVEWLUSYILS-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.48
Rot. Bonds2

About 5-(1H-imidazol-2-ylmethyl)-1H-indole

5-(1H-imidazol-2-ylmethyl)-1H-indole (PubChem CID 66707386) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(1H-imidazol-2-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-(1H-imidazol-2-ylmethyl)-1H-indole
PubChem CID66707386
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name5-(1H-imidazol-2-ylmethyl)-1H-indole
SMILESc1c[nH]c(Cc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C12H11N3/c1-2-11-10(3-4-13-11)7-9(1)8-12-14-5-6-15-12/h1-7,13H,8H2,(H,14,15)
InChIKeyDGWHVEWLUSYILS-UHFFFAOYSA-N
XLogP2.48
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-ylmethyl)-1H-indole?
The IUPAC name of 5-(1H-imidazol-2-ylmethyl)-1H-indole (CID 66707386) is 5-(1H-imidazol-2-ylmethyl)-1H-indole.
What is the SMILES notation for 5-(1H-imidazol-2-ylmethyl)-1H-indole?
The canonical SMILES for 5-(1H-imidazol-2-ylmethyl)-1H-indole is c1c[nH]c(Cc2ccc3[nH]ccc3c2)n1.
What is the InChIKey of 5-(1H-imidazol-2-ylmethyl)-1H-indole?
The InChIKey is DGWHVEWLUSYILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-2-11-10(3-4-13-11)7-9(1)8-12-14-5-6-15-12/h1-7,13H,8H2,(H,14,15).
What are the key properties of 5-(1H-imidazol-2-ylmethyl)-1H-indole?
5-(1H-imidazol-2-ylmethyl)-1H-indole has a molecular weight of 197.24 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-ylmethyl)-1H-indole is sourced from PubChem (CID 66707386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).