1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole

C17H15FN6 — CID 22379969

IUPAC1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole
SMILESCCn1c(Cn2ccnc2-c2ncccn2)nc2cc(F)ccc21
InChIInChI=1S/C17H15FN6/c1-2-24-14-5-4-12(18)10-13(14)22-15(24)11-23-9-8-21-17(23)16-19-6-3-7-20-16/h3-10H,2,11H2,1H3
InChIKeyRSOPUSCSOPWQLX-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.90
Rot. Bonds4

About 1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole

1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole (PubChem CID 22379969) has the molecular formula C17H15FN6 and a molecular weight of 322.35 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole
PubChem CID22379969
Molecular FormulaC17H15FN6
Molecular Weight322.35 g/mol
Exact Mass322.13
IUPAC Name1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole
SMILESCCn1c(Cn2ccnc2-c2ncccn2)nc2cc(F)ccc21
InChIInChI=1S/C17H15FN6/c1-2-24-14-5-4-12(18)10-13(14)22-15(24)11-23-9-8-21-17(23)16-19-6-3-7-20-16/h3-10H,2,11H2,1H3
InChIKeyRSOPUSCSOPWQLX-UHFFFAOYSA-N
XLogP2.90
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole?
The IUPAC name of 1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole (CID 22379969) is 1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole.
What is the SMILES notation for 1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole?
The canonical SMILES for 1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole is CCn1c(Cn2ccnc2-c2ncccn2)nc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole?
The InChIKey is RSOPUSCSOPWQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6/c1-2-24-14-5-4-12(18)10-13(14)22-15(24)11-23-9-8-21-17(23)16-19-6-3-7-20-16/h3-10H,2,11H2,1H3.
What are the key properties of 1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole?
1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole has a molecular weight of 322.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole is sourced from PubChem (CID 22379969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).