2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one

C26H20N4O2 — CID 4915607

IUPAC2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccc(-c3nc4ccc(C5=NCCCN5)cc4[nH]3)cc12
InChIInChI=1S/C26H20N4O2/c31-22-15-24(16-5-2-1-3-6-16)32-23-10-8-17(13-19(22)23)26-29-20-9-7-18(14-21(20)30-26)25-27-11-4-12-28-25/h1-3,5-10,13-15H,4,11-12H2,(H,27,28)(H,29,30)
InChIKeyVVQZWLJLNDAECI-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.74
Rot. Bonds3

About 2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one

2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one (PubChem CID 4915607) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one.

Molecular Properties

Compound Name2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one
PubChem CID4915607
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Name2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccc(-c3nc4ccc(C5=NCCCN5)cc4[nH]3)cc12
InChIInChI=1S/C26H20N4O2/c31-22-15-24(16-5-2-1-3-6-16)32-23-10-8-17(13-19(22)23)26-29-20-9-7-18(14-21(20)30-26)25-27-11-4-12-28-25/h1-3,5-10,13-15H,4,11-12H2,(H,27,28)(H,29,30)
InChIKeyVVQZWLJLNDAECI-UHFFFAOYSA-N
XLogP4.74
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one?
The IUPAC name of 2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one (CID 4915607) is 2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one.
What is the SMILES notation for 2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one?
The canonical SMILES for 2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one is O=c1cc(-c2ccccc2)oc2ccc(-c3nc4ccc(C5=NCCCN5)cc4[nH]3)cc12.
What is the InChIKey of 2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one?
The InChIKey is VVQZWLJLNDAECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c31-22-15-24(16-5-2-1-3-6-16)32-23-10-8-17(13-19(22)23)26-29-20-9-7-18(14-21(20)30-26)25-27-11-4-12-28-25/h1-3,5-10,13-15H,4,11-12H2,(H,27,28)(H,29,30).
What are the key properties of 2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one?
2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one has a molecular weight of 420.47 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]chromen-4-one is sourced from PubChem (CID 4915607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).