2-(4-Fluorophenyl)-1-methylbenzimidazole

C14H11FN2 — CID 614526

IUPAC2-(4-fluorophenyl)-1-methylbenzimidazole
SMILESCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)F
InChIInChI=1S/C14H11FN2/c1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3
InChIKeyNIOPLOPPKJTSGQ-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.20
Rot. Bonds1

About 2-(4-Fluorophenyl)-1-methylbenzimidazole

2-(4-Fluorophenyl)-1-methylbenzimidazole (PubChem CID 614526) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(4-Fluorophenyl)-1-methylbenzimidazole
PubChem CID614526
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name2-(4-fluorophenyl)-1-methylbenzimidazole
SMILESCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)F
InChIInChI=1S/C14H11FN2/c1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3
InChIKeyNIOPLOPPKJTSGQ-UHFFFAOYSA-N
XLogP3.20
TPSA17.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity263

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-Fluorophenyl)-1-methylbenzimidazole?
The IUPAC name of 2-(4-Fluorophenyl)-1-methylbenzimidazole (CID 614526) is 2-(4-fluorophenyl)-1-methylbenzimidazole.
What is the SMILES notation for 2-(4-Fluorophenyl)-1-methylbenzimidazole?
The canonical SMILES for 2-(4-Fluorophenyl)-1-methylbenzimidazole is CN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)F.
What is the InChIKey of 2-(4-Fluorophenyl)-1-methylbenzimidazole?
The InChIKey is NIOPLOPPKJTSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3.
What are the key properties of 2-(4-Fluorophenyl)-1-methylbenzimidazole?
2-(4-Fluorophenyl)-1-methylbenzimidazole has a molecular weight of 226.25 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Fluorophenyl)-1-methylbenzimidazole is sourced from PubChem (CID 614526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).