4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole

C15H14F2N4 — CID 141417931

IUPAC4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole
SMILESCCCn1c(C)nc2c(F)cc(-c3ncncc3F)cc21
InChIInChI=1S/C15H14F2N4/c1-3-4-21-9(2)20-15-11(16)5-10(6-13(15)21)14-12(17)7-18-8-19-14/h5-8H,3-4H2,1-2H3
InChIKeyNQKXRGPGGSNTHH-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.49
Rot. Bonds3

About 4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole

4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole (PubChem CID 141417931) has the molecular formula C15H14F2N4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole.

Molecular Properties

Compound Name4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole
PubChem CID141417931
Molecular FormulaC15H14F2N4
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC Name4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole
SMILESCCCn1c(C)nc2c(F)cc(-c3ncncc3F)cc21
InChIInChI=1S/C15H14F2N4/c1-3-4-21-9(2)20-15-11(16)5-10(6-13(15)21)14-12(17)7-18-8-19-14/h5-8H,3-4H2,1-2H3
InChIKeyNQKXRGPGGSNTHH-UHFFFAOYSA-N
XLogP3.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole?
The IUPAC name of 4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole (CID 141417931) is 4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole.
What is the SMILES notation for 4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole?
The canonical SMILES for 4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole is CCCn1c(C)nc2c(F)cc(-c3ncncc3F)cc21.
What is the InChIKey of 4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole?
The InChIKey is NQKXRGPGGSNTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4/c1-3-4-21-9(2)20-15-11(16)5-10(6-13(15)21)14-12(17)7-18-8-19-14/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole?
4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole has a molecular weight of 288.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole is sourced from PubChem (CID 141417931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).