2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole

C16H11FN2 — CID 19243357

IUPAC2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole
SMILESC#CCn1c(-c2ccccc2F)nc2ccccc21
InChIInChI=1S/C16H11FN2/c1-2-11-19-15-10-6-5-9-14(15)18-16(19)12-7-3-4-8-13(12)17/h1,3-10H,11H2
InChIKeyONFOORHJUFBNBS-UHFFFAOYSA-N
MW250.28 g/mol
LogP3.48
Rot. Bonds2

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

2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole (PubChem CID 19243357) has the molecular formula C16H11FN2 and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole
PubChem CID19243357
Molecular FormulaC16H11FN2
Molecular Weight250.28 g/mol
Exact Mass250.09
IUPAC Name2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole
SMILESC#CCn1c(-c2ccccc2F)nc2ccccc21
InChIInChI=1S/C16H11FN2/c1-2-11-19-15-10-6-5-9-14(15)18-16(19)12-7-3-4-8-13(12)17/h1,3-10H,11H2
InChIKeyONFOORHJUFBNBS-UHFFFAOYSA-N
XLogP3.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole?
The IUPAC name of 2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole (CID 19243357) is 2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole.
What is the SMILES notation for 2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole?
The canonical SMILES for 2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole is C#CCn1c(-c2ccccc2F)nc2ccccc21.
What is the InChIKey of 2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole?
The InChIKey is ONFOORHJUFBNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2/c1-2-11-19-15-10-6-5-9-14(15)18-16(19)12-7-3-4-8-13(12)17/h1,3-10H,11H2.
What are the key properties of 2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole?
2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole has a molecular weight of 250.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole is sourced from PubChem (CID 19243357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).