1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole

C16H14F2N4 — CID 135185789

IUPAC1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole
SMILESCCc1ncncc1-c1nc2cc(F)c(F)cc2n1C1CC1
InChIInChI=1S/C16H14F2N4/c1-2-13-10(7-19-8-20-13)16-21-14-5-11(17)12(18)6-15(14)22(16)9-3-4-9/h5-9H,2-4H2,1H3
InChIKeyBPAROTGKULTHJV-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.67
Rot. Bonds3

About 1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole

1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole (PubChem CID 135185789) has the molecular formula C16H14F2N4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole
PubChem CID135185789
Molecular FormulaC16H14F2N4
Molecular Weight300.31 g/mol
Exact Mass300.12
IUPAC Name1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole
SMILESCCc1ncncc1-c1nc2cc(F)c(F)cc2n1C1CC1
InChIInChI=1S/C16H14F2N4/c1-2-13-10(7-19-8-20-13)16-21-14-5-11(17)12(18)6-15(14)22(16)9-3-4-9/h5-9H,2-4H2,1H3
InChIKeyBPAROTGKULTHJV-UHFFFAOYSA-N
XLogP3.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole?
The IUPAC name of 1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole (CID 135185789) is 1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole.
What is the SMILES notation for 1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole?
The canonical SMILES for 1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole is CCc1ncncc1-c1nc2cc(F)c(F)cc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole?
The InChIKey is BPAROTGKULTHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4/c1-2-13-10(7-19-8-20-13)16-21-14-5-11(17)12(18)6-15(14)22(16)9-3-4-9/h5-9H,2-4H2,1H3.
What are the key properties of 1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole?
1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole has a molecular weight of 300.31 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole is sourced from PubChem (CID 135185789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).