2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole

C17H14N2O — CID 2992200

IUPAC2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole
SMILESC#CCn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H14N2O/c1-2-12-19-16-11-7-6-10-15(16)18-17(19)13-20-14-8-4-3-5-9-14/h1,3-11H,12-13H2
InChIKeyHJSWSLWVQWERPH-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.25
Rot. Bonds4

About 2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole

2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole (PubChem CID 2992200) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole
PubChem CID2992200
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole
SMILESC#CCn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H14N2O/c1-2-12-19-16-11-7-6-10-15(16)18-17(19)13-20-14-8-4-3-5-9-14/h1,3-11H,12-13H2
InChIKeyHJSWSLWVQWERPH-UHFFFAOYSA-N
XLogP3.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chlorophenoxy)methyl]-1-prop-2-ynylbenzimidazole
CID 16997288
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
CID 28752967
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627
4-[2-(phenoxymethyl)benzimidazol-1-yl]butanenitrile
CID 82150424
2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 112828549
4-[2-(phenoxymethyl)benzimidazol-1-yl]butan-1-amine
CID 82144770
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole
CID 2988325
5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
CID 166320009

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole?
The IUPAC name of 2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole (CID 2992200) is 2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole.
What is the SMILES notation for 2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole?
The canonical SMILES for 2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole is C#CCn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole?
The InChIKey is HJSWSLWVQWERPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-2-12-19-16-11-7-6-10-15(16)18-17(19)13-20-14-8-4-3-5-9-14/h1,3-11H,12-13H2.
What are the key properties of 2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole?
2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole has a molecular weight of 262.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole is sourced from PubChem (CID 2992200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).