2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole

C15H16N4 — CID 90401113

IUPAC2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3cnc(C)nc3C)[nH]c2c1
InChIInChI=1S/C15H16N4/c1-8-5-9(2)14-13(6-8)18-15(19-14)12-7-16-11(4)17-10(12)3/h5-7H,1-4H3,(H,18,19)
InChIKeyYQTYVFQJANUTOT-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.25
Rot. Bonds1

About 2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole

2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 90401113) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole
PubChem CID90401113
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3cnc(C)nc3C)[nH]c2c1
InChIInChI=1S/C15H16N4/c1-8-5-9(2)14-13(6-8)18-15(19-14)12-7-16-11(4)17-10(12)3/h5-7H,1-4H3,(H,18,19)
InChIKeyYQTYVFQJANUTOT-UHFFFAOYSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole (CID 90401113) is 2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole is Cc1cc(C)c2nc(-c3cnc(C)nc3C)[nH]c2c1.
What is the InChIKey of 2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is YQTYVFQJANUTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-8-5-9(2)14-13(6-8)18-15(19-14)12-7-16-11(4)17-10(12)3/h5-7H,1-4H3,(H,18,19).
What are the key properties of 2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole?
2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 90401113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).