1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole

C12H13FN4 — CID 144723220

IUPAC1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1ncc(F)c(-n2cnc3c2CCCC3)n1
InChIInChI=1S/C12H13FN4/c1-8-14-6-9(13)12(16-8)17-7-15-10-4-2-3-5-11(10)17/h6-7H,2-5H2,1H3
InChIKeyHJAKZQQYHNOLJB-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.99
Rot. Bonds1

About 1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole

1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 144723220) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole
PubChem CID144723220
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1ncc(F)c(-n2cnc3c2CCCC3)n1
InChIInChI=1S/C12H13FN4/c1-8-14-6-9(13)12(16-8)17-7-15-10-4-2-3-5-11(10)17/h6-7H,2-5H2,1H3
InChIKeyHJAKZQQYHNOLJB-UHFFFAOYSA-N
XLogP1.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole (CID 144723220) is 1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole is Cc1ncc(F)c(-n2cnc3c2CCCC3)n1.
What is the InChIKey of 1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is HJAKZQQYHNOLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8-14-6-9(13)12(16-8)17-7-15-10-4-2-3-5-11(10)17/h6-7H,2-5H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole?
1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 232.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 144723220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).