2-fluoro-1-prop-2-enylbenzimidazole

C10H9FN2 — CID 70361625

IUPAC2-fluoro-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(F)nc2ccccc21
InChIInChI=1S/C10H9FN2/c1-2-7-13-9-6-4-3-5-8(9)12-10(13)11/h2-6H,1,7H2
InChIKeyATHRZFDHIYYVIG-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.36
Rot. Bonds2

About 2-fluoro-1-prop-2-enylbenzimidazole

2-fluoro-1-prop-2-enylbenzimidazole (PubChem CID 70361625) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-fluoro-1-prop-2-enylbenzimidazole.

Molecular Properties

Compound Name2-fluoro-1-prop-2-enylbenzimidazole
PubChem CID70361625
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name2-fluoro-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(F)nc2ccccc21
InChIInChI=1S/C10H9FN2/c1-2-7-13-9-6-4-3-5-8(9)12-10(13)11/h2-6H,1,7H2
InChIKeyATHRZFDHIYYVIG-UHFFFAOYSA-N
XLogP2.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-prop-2-enylbenzimidazole?
The IUPAC name of 2-fluoro-1-prop-2-enylbenzimidazole (CID 70361625) is 2-fluoro-1-prop-2-enylbenzimidazole.
What is the SMILES notation for 2-fluoro-1-prop-2-enylbenzimidazole?
The canonical SMILES for 2-fluoro-1-prop-2-enylbenzimidazole is C=CCn1c(F)nc2ccccc21.
What is the InChIKey of 2-fluoro-1-prop-2-enylbenzimidazole?
The InChIKey is ATHRZFDHIYYVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-2-7-13-9-6-4-3-5-8(9)12-10(13)11/h2-6H,1,7H2.
What are the key properties of 2-fluoro-1-prop-2-enylbenzimidazole?
2-fluoro-1-prop-2-enylbenzimidazole has a molecular weight of 176.19 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-prop-2-enylbenzimidazole is sourced from PubChem (CID 70361625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).