2-(phenoxymethyl)-1-prop-2-enylbenzimidazole

C17H16N2O — CID 716444

IUPAC2-(phenoxymethyl)-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H16N2O/c1-2-12-19-16-11-7-6-10-15(16)18-17(19)13-20-14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKeyFUAYEDDOAXHBOY-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.80
Rot. Bonds5

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

2-(phenoxymethyl)-1-prop-2-enylbenzimidazole (PubChem CID 716444) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(phenoxymethyl)-1-prop-2-enylbenzimidazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-1-prop-2-enylbenzimidazole
PubChem CID716444
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(phenoxymethyl)-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H16N2O/c1-2-12-19-16-11-7-6-10-15(16)18-17(19)13-20-14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKeyFUAYEDDOAXHBOY-UHFFFAOYSA-N
XLogP3.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-1-prop-2-enylbenzimidazole?
The IUPAC name of 2-(phenoxymethyl)-1-prop-2-enylbenzimidazole (CID 716444) is 2-(phenoxymethyl)-1-prop-2-enylbenzimidazole.
What is the SMILES notation for 2-(phenoxymethyl)-1-prop-2-enylbenzimidazole?
The canonical SMILES for 2-(phenoxymethyl)-1-prop-2-enylbenzimidazole is C=CCn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(phenoxymethyl)-1-prop-2-enylbenzimidazole?
The InChIKey is FUAYEDDOAXHBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-12-19-16-11-7-6-10-15(16)18-17(19)13-20-14-8-4-3-5-9-14/h2-11H,1,12-13H2.
What are the key properties of 2-(phenoxymethyl)-1-prop-2-enylbenzimidazole?
2-(phenoxymethyl)-1-prop-2-enylbenzimidazole has a molecular weight of 264.33 g/mol, XLogP of 3.80, 5 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-enylbenzimidazole is sourced from PubChem (CID 716444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).