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

C17H16F2N4 — CID 135185793

IUPAC1-cyclopropyl-5,6-difluoro-2-(4-propan-2-ylpyrimidin-5-yl)benzimidazole
SMILESCC(C)c1ncncc1-c1nc2cc(F)c(F)cc2n1C1CC1
InChIInChI=1S/C17H16F2N4/c1-9(2)16-11(7-20-8-21-16)17-22-14-5-12(18)13(19)6-15(14)23(17)10-3-4-10/h5-10H,3-4H2,1-2H3
InChIKeyOHNWDRLIYHPQSC-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.23
Rot. Bonds3

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

1-cyclopropyl-5,6-difluoro-2-(4-propan-2-ylpyrimidin-5-yl)benzimidazole (PubChem CID 135185793) has the molecular formula C17H16F2N4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-cyclopropyl-5,6-difluoro-2-(4-propan-2-ylpyrimidin-5-yl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-5,6-difluoro-2-(4-propan-2-ylpyrimidin-5-yl)benzimidazole
PubChem CID135185793
Molecular FormulaC17H16F2N4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name1-cyclopropyl-5,6-difluoro-2-(4-propan-2-ylpyrimidin-5-yl)benzimidazole
SMILESCC(C)c1ncncc1-c1nc2cc(F)c(F)cc2n1C1CC1
InChIInChI=1S/C17H16F2N4/c1-9(2)16-11(7-20-8-21-16)17-22-14-5-12(18)13(19)6-15(14)23(17)10-3-4-10/h5-10H,3-4H2,1-2H3
InChIKeyOHNWDRLIYHPQSC-UHFFFAOYSA-N
XLogP4.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.23
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-propan-2-ylpyrimidin-5-yl)benzimidazole?
The IUPAC name of 1-cyclopropyl-5,6-difluoro-2-(4-propan-2-ylpyrimidin-5-yl)benzimidazole (CID 135185793) is 1-cyclopropyl-5,6-difluoro-2-(4-propan-2-ylpyrimidin-5-yl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-5,6-difluoro-2-(4-propan-2-ylpyrimidin-5-yl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-5,6-difluoro-2-(4-propan-2-ylpyrimidin-5-yl)benzimidazole is CC(C)c1ncncc1-c1nc2cc(F)c(F)cc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-5,6-difluoro-2-(4-propan-2-ylpyrimidin-5-yl)benzimidazole?
The InChIKey is OHNWDRLIYHPQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4/c1-9(2)16-11(7-20-8-21-16)17-22-14-5-12(18)13(19)6-15(14)23(17)10-3-4-10/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-5,6-difluoro-2-(4-propan-2-ylpyrimidin-5-yl)benzimidazole?
1-cyclopropyl-5,6-difluoro-2-(4-propan-2-ylpyrimidin-5-yl)benzimidazole has a molecular weight of 314.34 g/mol, XLogP of 4.23, 3 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-propan-2-ylpyrimidin-5-yl)benzimidazole is sourced from PubChem (CID 135185793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).