3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole

C18H16N4 — CID 110453783

IUPAC3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(c1ccccn1)n1ccnc1
InChIInChI=1S/C18H16N4/c1-13-17(14-6-2-3-7-15(14)21-13)18(22-11-10-19-12-22)16-8-4-5-9-20-16/h2-12,18,21H,1H3
InChIKeyXHJWWHQKKWSTTA-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.71
Rot. Bonds3

About 3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole

3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole (PubChem CID 110453783) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole
PubChem CID110453783
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(c1ccccn1)n1ccnc1
InChIInChI=1S/C18H16N4/c1-13-17(14-6-2-3-7-15(14)21-13)18(22-11-10-19-12-22)16-8-4-5-9-20-16/h2-12,18,21H,1H3
InChIKeyXHJWWHQKKWSTTA-UHFFFAOYSA-N
XLogP3.71
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole?
The IUPAC name of 3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole (CID 110453783) is 3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1C(c1ccccn1)n1ccnc1.
What is the InChIKey of 3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole?
The InChIKey is XHJWWHQKKWSTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-13-17(14-6-2-3-7-15(14)21-13)18(22-11-10-19-12-22)16-8-4-5-9-20-16/h2-12,18,21H,1H3.
What are the key properties of 3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole?
3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole has a molecular weight of 288.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole is sourced from PubChem (CID 110453783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).