5,6-difluoro-1-pent-4-enylbenzimidazole

C12H12F2N2 — CID 115644249

IUPAC5,6-difluoro-1-pent-4-enylbenzimidazole
SMILESC=CCCCn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C12H12F2N2/c1-2-3-4-5-16-8-15-11-6-9(13)10(14)7-12(11)16/h2,6-8H,1,3-5H2
InChIKeyZOFOHMASGJTBDA-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.28
Rot. Bonds4

About 5,6-difluoro-1-pent-4-enylbenzimidazole

5,6-difluoro-1-pent-4-enylbenzimidazole (PubChem CID 115644249) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5,6-difluoro-1-pent-4-enylbenzimidazole.

Molecular Properties

Compound Name5,6-difluoro-1-pent-4-enylbenzimidazole
PubChem CID115644249
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5,6-difluoro-1-pent-4-enylbenzimidazole
SMILESC=CCCCn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C12H12F2N2/c1-2-3-4-5-16-8-15-11-6-9(13)10(14)7-12(11)16/h2,6-8H,1,3-5H2
InChIKeyZOFOHMASGJTBDA-UHFFFAOYSA-N
XLogP3.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-pent-4-enylbenzimidazole?
The IUPAC name of 5,6-difluoro-1-pent-4-enylbenzimidazole (CID 115644249) is 5,6-difluoro-1-pent-4-enylbenzimidazole.
What is the SMILES notation for 5,6-difluoro-1-pent-4-enylbenzimidazole?
The canonical SMILES for 5,6-difluoro-1-pent-4-enylbenzimidazole is C=CCCCn1cnc2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1-pent-4-enylbenzimidazole?
The InChIKey is ZOFOHMASGJTBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c1-2-3-4-5-16-8-15-11-6-9(13)10(14)7-12(11)16/h2,6-8H,1,3-5H2.
What are the key properties of 5,6-difluoro-1-pent-4-enylbenzimidazole?
5,6-difluoro-1-pent-4-enylbenzimidazole has a molecular weight of 222.24 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-pent-4-enylbenzimidazole is sourced from PubChem (CID 115644249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).