6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde

C27H24N4O2S — CID 71524888

IUPAC6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc4c(C=O)csc4c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C27H24N4O2S/c1-31(2)13-14-33-22-6-3-19(4-7-22)27-29-25(18-9-11-28-12-10-18)26(30-27)20-5-8-23-21(16-32)17-34-24(23)15-20/h3-12,15-17H,13-14H2,1-2H3,(H,29,30)
InChIKeyDUZSQTLLODGVKC-UHFFFAOYSA-N
MW468.58 g/mol
LogP5.77
Rot. Bonds8

About 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde

6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde (PubChem CID 71524888) has the molecular formula C27H24N4O2S and a molecular weight of 468.58 g/mol. Its IUPAC name is 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde.

Molecular Properties

Compound Name6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde
PubChem CID71524888
Molecular FormulaC27H24N4O2S
Molecular Weight468.58 g/mol
Exact Mass468.16
IUPAC Name6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc4c(C=O)csc4c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C27H24N4O2S/c1-31(2)13-14-33-22-6-3-19(4-7-22)27-29-25(18-9-11-28-12-10-18)26(30-27)20-5-8-23-21(16-32)17-34-24(23)15-20/h3-12,15-17H,13-14H2,1-2H3,(H,29,30)
InChIKeyDUZSQTLLODGVKC-UHFFFAOYSA-N
XLogP5.77
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde?
The IUPAC name of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde (CID 71524888) is 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde.
What is the SMILES notation for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde?
The canonical SMILES for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde is CN(C)CCOc1ccc(-c2nc(-c3ccc4c(C=O)csc4c3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde?
The InChIKey is DUZSQTLLODGVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2S/c1-31(2)13-14-33-22-6-3-19(4-7-22)27-29-25(18-9-11-28-12-10-18)26(30-27)20-5-8-23-21(16-32)17-34-24(23)15-20/h3-12,15-17H,13-14H2,1-2H3,(H,29,30).
What are the key properties of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde?
6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde has a molecular weight of 468.58 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde is sourced from PubChem (CID 71524888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).