5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde

C19H15N3O2 — CID 69489886

IUPAC5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde
SMILESO=Cn1cncc1-n1c(OCc2ccccc2)cc2ccccc21
InChIInChI=1S/C19H15N3O2/c23-14-21-13-20-11-18(21)22-17-9-5-4-8-16(17)10-19(22)24-12-15-6-2-1-3-7-15/h1-11,13-14H,12H2
InChIKeyFKSBZTLHVVCCLX-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.44
Rot. Bonds5

About 5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde

5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde (PubChem CID 69489886) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde.

Molecular Properties

Compound Name5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde
PubChem CID69489886
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde
SMILESO=Cn1cncc1-n1c(OCc2ccccc2)cc2ccccc21
InChIInChI=1S/C19H15N3O2/c23-14-21-13-20-11-18(21)22-17-9-5-4-8-16(17)10-19(22)24-12-15-6-2-1-3-7-15/h1-11,13-14H,12H2
InChIKeyFKSBZTLHVVCCLX-UHFFFAOYSA-N
XLogP3.44
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde?
The IUPAC name of 5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde (CID 69489886) is 5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde.
What is the SMILES notation for 5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde?
The canonical SMILES for 5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde is O=Cn1cncc1-n1c(OCc2ccccc2)cc2ccccc21.
What is the InChIKey of 5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde?
The InChIKey is FKSBZTLHVVCCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-14-21-13-20-11-18(21)22-17-9-5-4-8-16(17)10-19(22)24-12-15-6-2-1-3-7-15/h1-11,13-14H,12H2.
What are the key properties of 5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde?
5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde has a molecular weight of 317.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde is sourced from PubChem (CID 69489886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).