6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole

C11H7FN4 — CID 102922110

IUPAC6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
SMILESFc1ccc2nc(-c3cncnc3)[nH]c2c1
InChIInChI=1S/C11H7FN4/c12-8-1-2-9-10(3-8)16-11(15-9)7-4-13-6-14-5-7/h1-6H,(H,15,16)
InChIKeyXJYTWKXPGOGCMP-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.16
Rot. Bonds1

About 6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole

6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole (PubChem CID 102922110) has the molecular formula C11H7FN4 and a molecular weight of 214.20 g/mol. Its IUPAC name is 6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
PubChem CID102922110
Molecular FormulaC11H7FN4
Molecular Weight214.20 g/mol
Exact Mass214.07
IUPAC Name6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
SMILESFc1ccc2nc(-c3cncnc3)[nH]c2c1
InChIInChI=1S/C11H7FN4/c12-8-1-2-9-10(3-8)16-11(15-9)7-4-13-6-14-5-7/h1-6H,(H,15,16)
InChIKeyXJYTWKXPGOGCMP-UHFFFAOYSA-N
XLogP2.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922101
6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole
CID 56796622
6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole
CID 112730258
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole
CID 60980673
2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 113227780
6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole
CID 104786095
6-fluoro-2-(2-methyl-4-pyridinyl)-1H-benzimidazole
CID 106753306
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 54919597
2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136837301
6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
CID 130271324

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole (CID 102922110) is 6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole is Fc1ccc2nc(-c3cncnc3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole?
The InChIKey is XJYTWKXPGOGCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4/c12-8-1-2-9-10(3-8)16-11(15-9)7-4-13-6-14-5-7/h1-6H,(H,15,16).
What are the key properties of 6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole?
6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole has a molecular weight of 214.20 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole is sourced from PubChem (CID 102922110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).