6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole

C15H11N3O — CID 84816420

IUPAC6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole
SMILESC#CCOc1ccc2nc(-c3cccnc3)[nH]c2c1
InChIInChI=1S/C15H11N3O/c1-2-8-19-12-5-6-13-14(9-12)18-15(17-13)11-4-3-7-16-10-11/h1,3-7,9-10H,8H2,(H,17,18)
InChIKeyUJHLVLKNPNBWAC-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.64
Rot. Bonds3

About 6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole

6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole (PubChem CID 84816420) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole
PubChem CID84816420
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole
SMILESC#CCOc1ccc2nc(-c3cccnc3)[nH]c2c1
InChIInChI=1S/C15H11N3O/c1-2-8-19-12-5-6-13-14(9-12)18-15(17-13)11-4-3-7-16-10-11/h1,3-7,9-10H,8H2,(H,17,18)
InChIKeyUJHLVLKNPNBWAC-UHFFFAOYSA-N
XLogP2.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-prop-2-ynoxy-2-pyridin-3-yl-1H-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

2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015
6-ethoxy-2-pyridin-4-yl-1H-benzimidazole
CID 12855474
2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292187
2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile
CID 19821941
2-(3-methoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 19821912
5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 166873941
6-(4-methylpiperazin-1-yl)-2-[2-(4-prop-2-ynoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 58160590
2-(4-methoxy-2-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 13145901
2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine
CID 84816368
N-[(3,4-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3H-benzimidazol-5-amine
CID 591998
2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide
CID 169368117

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole?
The IUPAC name of 6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole (CID 84816420) is 6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole.
What is the SMILES notation for 6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole?
The canonical SMILES for 6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole is C#CCOc1ccc2nc(-c3cccnc3)[nH]c2c1.
What is the InChIKey of 6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole?
The InChIKey is UJHLVLKNPNBWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-2-8-19-12-5-6-13-14(9-12)18-15(17-13)11-4-3-7-16-10-11/h1,3-7,9-10H,8H2,(H,17,18).
What are the key properties of 6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole?
6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole has a molecular weight of 249.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole is sourced from PubChem (CID 84816420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).