5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde

C20H19N5O2 — CID 91885561

IUPAC5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde
SMILESCC(C)n1nccc1-c1ncccc1COc1ccc2[nH]cnc2c1C=O
InChIInChI=1S/C20H19N5O2/c1-13(2)25-17(7-9-24-25)19-14(4-3-8-21-19)11-27-18-6-5-16-20(15(18)10-26)23-12-22-16/h3-10,12-13H,11H2,1-2H3,(H,22,23)
InChIKeySVJNTKODJWOTPD-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.79
Rot. Bonds6

About 5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde

5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde (PubChem CID 91885561) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde
PubChem CID91885561
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde
SMILESCC(C)n1nccc1-c1ncccc1COc1ccc2[nH]cnc2c1C=O
InChIInChI=1S/C20H19N5O2/c1-13(2)25-17(7-9-24-25)19-14(4-3-8-21-19)11-27-18-6-5-16-20(15(18)10-26)23-12-22-16/h3-10,12-13H,11H2,1-2H3,(H,22,23)
InChIKeySVJNTKODJWOTPD-UHFFFAOYSA-N
XLogP3.79
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-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 5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde?
The IUPAC name of 5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde (CID 91885561) is 5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde.
What is the SMILES notation for 5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde?
The canonical SMILES for 5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde is CC(C)n1nccc1-c1ncccc1COc1ccc2[nH]cnc2c1C=O.
What is the InChIKey of 5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde?
The InChIKey is SVJNTKODJWOTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13(2)25-17(7-9-24-25)19-14(4-3-8-21-19)11-27-18-6-5-16-20(15(18)10-26)23-12-22-16/h3-10,12-13H,11H2,1-2H3,(H,22,23).
What are the key properties of 5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde?
5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde has a molecular weight of 361.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde is sourced from PubChem (CID 91885561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).