1-(2-methylpyrimidin-4-yl)benzimidazole

C12H10N4 — CID 112695167

IUPAC1-(2-methylpyrimidin-4-yl)benzimidazole
SMILESCc1nccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C12H10N4/c1-9-13-7-6-12(15-9)16-8-14-10-4-2-3-5-11(10)16/h2-8H,1H3
InChIKeyFVJKWBYIGYVNDT-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.12
Rot. Bonds1

About 1-(2-methylpyrimidin-4-yl)benzimidazole

1-(2-methylpyrimidin-4-yl)benzimidazole (PubChem CID 112695167) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)benzimidazole.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)benzimidazole
PubChem CID112695167
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name1-(2-methylpyrimidin-4-yl)benzimidazole
SMILESCc1nccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C12H10N4/c1-9-13-7-6-12(15-9)16-8-14-10-4-2-3-5-11(10)16/h2-8H,1H3
InChIKeyFVJKWBYIGYVNDT-UHFFFAOYSA-N
XLogP2.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)benzimidazole?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)benzimidazole (CID 112695167) is 1-(2-methylpyrimidin-4-yl)benzimidazole.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)benzimidazole?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)benzimidazole is Cc1nccc(-n2cnc3ccccc32)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)benzimidazole?
The InChIKey is FVJKWBYIGYVNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-9-13-7-6-12(15-9)16-8-14-10-4-2-3-5-11(10)16/h2-8H,1H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)benzimidazole?
1-(2-methylpyrimidin-4-yl)benzimidazole has a molecular weight of 210.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)benzimidazole is sourced from PubChem (CID 112695167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).