(5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone

C17H10FN3O2 — CID 3602941

IUPAC(5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
SMILESO=C(c1cnc2nc3ccccc3n2c1)c1cc(F)ccc1O
InChIInChI=1S/C17H10FN3O2/c18-11-5-6-15(22)12(7-11)16(23)10-8-19-17-20-13-3-1-2-4-14(13)21(17)9-10/h1-9,22H
InChIKeyKAHLXPDRKOXGQB-UHFFFAOYSA-N
MW307.28 g/mol
LogP2.96
Rot. Bonds2

About (5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone

(5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone (PubChem CID 3602941) has the molecular formula C17H10FN3O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
PubChem CID3602941
Molecular FormulaC17H10FN3O2
Molecular Weight307.28 g/mol
Exact Mass307.08
IUPAC Name(5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
SMILESO=C(c1cnc2nc3ccccc3n2c1)c1cc(F)ccc1O
InChIInChI=1S/C17H10FN3O2/c18-11-5-6-15(22)12(7-11)16(23)10-8-19-17-20-13-3-1-2-4-14(13)21(17)9-10/h1-9,22H
InChIKeyKAHLXPDRKOXGQB-UHFFFAOYSA-N
XLogP2.96
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone (CID 3602941) is (5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone is O=C(c1cnc2nc3ccccc3n2c1)c1cc(F)ccc1O.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
The InChIKey is KAHLXPDRKOXGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2/c18-11-5-6-15(22)12(7-11)16(23)10-8-19-17-20-13-3-1-2-4-14(13)21(17)9-10/h1-9,22H.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
(5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone has a molecular weight of 307.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone is sourced from PubChem (CID 3602941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).