2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole

C14H10ClFN2 — CID 62377373

IUPAC2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
SMILESFc1ccc2nc(CCl)n(-c3ccccc3)c2c1
InChIInChI=1S/C14H10ClFN2/c15-9-14-17-12-7-6-10(16)8-13(12)18(14)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyDPYHXGSQKNVYKG-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.90
Rot. Bonds2

About 2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole

2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole (PubChem CID 62377373) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
PubChem CID62377373
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
SMILESFc1ccc2nc(CCl)n(-c3ccccc3)c2c1
InChIInChI=1S/C14H10ClFN2/c15-9-14-17-12-7-6-10(16)8-13(12)18(14)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyDPYHXGSQKNVYKG-UHFFFAOYSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole (CID 62377373) is 2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole is Fc1ccc2nc(CCl)n(-c3ccccc3)c2c1.
What is the InChIKey of 2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole?
The InChIKey is DPYHXGSQKNVYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c15-9-14-17-12-7-6-10(16)8-13(12)18(14)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole?
2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole has a molecular weight of 260.70 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole is sourced from PubChem (CID 62377373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).