1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole

C15H12F2N4 — CID 135185771

IUPAC1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole
SMILESCc1ncncc1-c1nc2cc(F)c(F)cc2n1C1CC1
InChIInChI=1S/C15H12F2N4/c1-8-10(6-18-7-19-8)15-20-13-4-11(16)12(17)5-14(13)21(15)9-2-3-9/h4-7,9H,2-3H2,1H3
InChIKeyZQPGPFMINAZKHQ-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.41
Rot. Bonds2

About 1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole

1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole (PubChem CID 135185771) has the molecular formula C15H12F2N4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole
PubChem CID135185771
Molecular FormulaC15H12F2N4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole
SMILESCc1ncncc1-c1nc2cc(F)c(F)cc2n1C1CC1
InChIInChI=1S/C15H12F2N4/c1-8-10(6-18-7-19-8)15-20-13-4-11(16)12(17)5-14(13)21(15)9-2-3-9/h4-7,9H,2-3H2,1H3
InChIKeyZQPGPFMINAZKHQ-UHFFFAOYSA-N
XLogP3.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole?
The IUPAC name of 1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole (CID 135185771) is 1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole is Cc1ncncc1-c1nc2cc(F)c(F)cc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole?
The InChIKey is ZQPGPFMINAZKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4/c1-8-10(6-18-7-19-8)15-20-13-4-11(16)12(17)5-14(13)21(15)9-2-3-9/h4-7,9H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole?
1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole has a molecular weight of 286.29 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole is sourced from PubChem (CID 135185771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).