6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole

C17H11FN4 — CID 56796622

IUPAC6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole
SMILESFc1ccc2nc(-c3cnc(-c4ccccc4)nc3)[nH]c2c1
InChIInChI=1S/C17H11FN4/c18-13-6-7-14-15(8-13)22-17(21-14)12-9-19-16(20-10-12)11-4-2-1-3-5-11/h1-10H,(H,21,22)
InChIKeyWTAFRMQHZUJWOW-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.83
Rot. Bonds2

About 6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole

6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole (PubChem CID 56796622) has the molecular formula C17H11FN4 and a molecular weight of 290.30 g/mol. Its IUPAC name is 6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole
PubChem CID56796622
Molecular FormulaC17H11FN4
Molecular Weight290.30 g/mol
Exact Mass290.10
IUPAC Name6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole
SMILESFc1ccc2nc(-c3cnc(-c4ccccc4)nc3)[nH]c2c1
InChIInChI=1S/C17H11FN4/c18-13-6-7-14-15(8-13)22-17(21-14)12-9-19-16(20-10-12)11-4-2-1-3-5-11/h1-10H,(H,21,22)
InChIKeyWTAFRMQHZUJWOW-UHFFFAOYSA-N
XLogP3.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole (CID 56796622) is 6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole is Fc1ccc2nc(-c3cnc(-c4ccccc4)nc3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole?
The InChIKey is WTAFRMQHZUJWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4/c18-13-6-7-14-15(8-13)22-17(21-14)12-9-19-16(20-10-12)11-4-2-1-3-5-11/h1-10H,(H,21,22).
What are the key properties of 6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole?
6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole has a molecular weight of 290.30 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole is sourced from PubChem (CID 56796622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).