5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole

C16H15F2N3O2 — CID 75519939

IUPAC5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole
SMILESCOCCOc1cc(Cn2cnc3cc(F)c(F)cc32)ccn1
InChIInChI=1S/C16H15F2N3O2/c1-22-4-5-23-16-6-11(2-3-19-16)9-21-10-20-14-7-12(17)13(18)8-15(14)21/h2-3,6-8,10H,4-5,9H2,1H3
InChIKeyCCQVSVQCJPAJME-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.78
Rot. Bonds6

About 5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole

5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole (PubChem CID 75519939) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole
PubChem CID75519939
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole
SMILESCOCCOc1cc(Cn2cnc3cc(F)c(F)cc32)ccn1
InChIInChI=1S/C16H15F2N3O2/c1-22-4-5-23-16-6-11(2-3-19-16)9-21-10-20-14-7-12(17)13(18)8-15(14)21/h2-3,6-8,10H,4-5,9H2,1H3
InChIKeyCCQVSVQCJPAJME-UHFFFAOYSA-N
XLogP2.78
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

Benzimidazole deriv. 5
CID 5329405
4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341260
3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341278
2-Hexyloxy-5-imidazol-1-yl-pyridine
CID 44341439
5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11532065
1-Cyclopropyl-5,6-difluoro-2-(5-methoxy-3-pyridinyl)benzimidazole
CID 68053730
[11C]-N-Methyl Lansoprazole
CID 71459376
1-benzyl-5-ethoxy-1H-benzimidazole
CID 760402
1-[4-(2-Methylphenoxy)butyl]benzimidazole
CID 2129703
7-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-12-methoxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10715484
4-[5-(4-Fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine
CID 10761882
1-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)phenoxy)propyl)piperidin-4-ol
CID 11539598

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole?
The IUPAC name of 5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole (CID 75519939) is 5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole.
What is the SMILES notation for 5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole?
The canonical SMILES for 5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole is COCCOc1cc(Cn2cnc3cc(F)c(F)cc32)ccn1.
What is the InChIKey of 5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole?
The InChIKey is CCQVSVQCJPAJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-22-4-5-23-16-6-11(2-3-19-16)9-21-10-20-14-7-12(17)13(18)8-15(14)21/h2-3,6-8,10H,4-5,9H2,1H3.
What are the key properties of 5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole?
5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole has a molecular weight of 319.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole is sourced from PubChem (CID 75519939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).