1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole

C18H14N4 — CID 1477797

IUPAC1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole
SMILESCc1nccc(-c2ccc(-n3cnc4ccccc43)cc2)n1
InChIInChI=1S/C18H14N4/c1-13-19-11-10-16(21-13)14-6-8-15(9-7-14)22-12-20-17-4-2-3-5-18(17)22/h2-12H,1H3
InChIKeyDXNCAHDHRPSVKE-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.79
Rot. Bonds2

About 1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole

1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole (PubChem CID 1477797) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole
PubChem CID1477797
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole
SMILESCc1nccc(-c2ccc(-n3cnc4ccccc43)cc2)n1
InChIInChI=1S/C18H14N4/c1-13-19-11-10-16(21-13)14-6-8-15(9-7-14)22-12-20-17-4-2-3-5-18(17)22/h2-12H,1H3
InChIKeyDXNCAHDHRPSVKE-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole?
The IUPAC name of 1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole (CID 1477797) is 1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole.
What is the SMILES notation for 1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole?
The canonical SMILES for 1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole is Cc1nccc(-c2ccc(-n3cnc4ccccc43)cc2)n1.
What is the InChIKey of 1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole?
The InChIKey is DXNCAHDHRPSVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-13-19-11-10-16(21-13)14-6-8-15(9-7-14)22-12-20-17-4-2-3-5-18(17)22/h2-12H,1H3.
What are the key properties of 1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole?
1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole has a molecular weight of 286.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole is sourced from PubChem (CID 1477797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).