1-prop-2-enoxybenzimidazole

C10H10N2O — CID 45078219

IUPAC1-prop-2-enoxybenzimidazole
SMILESC=CCOn1cnc2ccccc21
InChIInChI=1S/C10H10N2O/c1-2-7-13-12-8-11-9-5-3-4-6-10(9)12/h2-6,8H,1,7H2
InChIKeyIQLAEISPLGPDRA-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.65
Rot. Bonds3

About 1-prop-2-enoxybenzimidazole

1-prop-2-enoxybenzimidazole (PubChem CID 45078219) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-prop-2-enoxybenzimidazole.

Molecular Properties

Compound Name1-prop-2-enoxybenzimidazole
PubChem CID45078219
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-prop-2-enoxybenzimidazole
SMILESC=CCOn1cnc2ccccc21
InChIInChI=1S/C10H10N2O/c1-2-7-13-12-8-11-9-5-3-4-6-10(9)12/h2-6,8H,1,7H2
InChIKeyIQLAEISPLGPDRA-UHFFFAOYSA-N
XLogP1.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.65
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

1-(2,2-difluoroethoxy)benzimidazole
CID 173023567
1-(cyclopropylmethoxy)benzimidazole
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1-prop-2-enylsulfanylbenzimidazole
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1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride
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CID 87577952
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benzimidazol-1-yl sulfite
CID 57025015
benzimidazol-1-yl(tetraethyl)-λ5-phosphane
CID 140917103
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
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CID 91130597

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxybenzimidazole?
The IUPAC name of 1-prop-2-enoxybenzimidazole (CID 45078219) is 1-prop-2-enoxybenzimidazole.
What is the SMILES notation for 1-prop-2-enoxybenzimidazole?
The canonical SMILES for 1-prop-2-enoxybenzimidazole is C=CCOn1cnc2ccccc21.
What is the InChIKey of 1-prop-2-enoxybenzimidazole?
The InChIKey is IQLAEISPLGPDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-7-13-12-8-11-9-5-3-4-6-10(9)12/h2-6,8H,1,7H2.
What are the key properties of 1-prop-2-enoxybenzimidazole?
1-prop-2-enoxybenzimidazole has a molecular weight of 174.20 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxybenzimidazole is sourced from PubChem (CID 45078219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).