bis(3-methyl-1H-indol-2-yl)methanone

C19H16N2O — CID 67512895

IUPACbis(3-methyl-1H-indol-2-yl)methanone
SMILESCc1c(C(=O)c2[nH]c3ccccc3c2C)[nH]c2ccccc12
InChIInChI=1S/C19H16N2O/c1-11-13-7-3-5-9-15(13)20-17(11)19(22)18-12(2)14-8-4-6-10-16(14)21-18/h3-10,20-21H,1-2H3
InChIKeyWYDQEZDNHAMEMC-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.50
Rot. Bonds2

About bis(3-methyl-1H-indol-2-yl)methanone

bis(3-methyl-1H-indol-2-yl)methanone (PubChem CID 67512895) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is bis(3-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Namebis(3-methyl-1H-indol-2-yl)methanone
PubChem CID67512895
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Namebis(3-methyl-1H-indol-2-yl)methanone
SMILESCc1c(C(=O)c2[nH]c3ccccc3c2C)[nH]c2ccccc12
InChIInChI=1S/C19H16N2O/c1-11-13-7-3-5-9-15(13)20-17(11)19(22)18-12(2)14-8-4-6-10-16(14)21-18/h3-10,20-21H,1-2H3
InChIKeyWYDQEZDNHAMEMC-UHFFFAOYSA-N
XLogP4.50
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 bis(3-methyl-1H-indol-2-yl)methanone?
The IUPAC name of bis(3-methyl-1H-indol-2-yl)methanone (CID 67512895) is bis(3-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for bis(3-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for bis(3-methyl-1H-indol-2-yl)methanone is Cc1c(C(=O)c2[nH]c3ccccc3c2C)[nH]c2ccccc12.
What is the InChIKey of bis(3-methyl-1H-indol-2-yl)methanone?
The InChIKey is WYDQEZDNHAMEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-11-13-7-3-5-9-15(13)20-17(11)19(22)18-12(2)14-8-4-6-10-16(14)21-18/h3-10,20-21H,1-2H3.
What are the key properties of bis(3-methyl-1H-indol-2-yl)methanone?
bis(3-methyl-1H-indol-2-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 67512895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).