2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine

C29H26N6O — CID 71533057

IUPAC2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine
SMILESc1cc2cc(-c3ccc(-c4ccc5nc(C6=NCCCN6)cn5c4)cc3)oc2cc1C1=NCCCN1
InChIInChI=1S/C29H26N6O/c1-11-30-28(31-12-1)22-8-7-21-15-25(36-26(21)16-22)20-5-3-19(4-6-20)23-9-10-27-34-24(18-35(27)17-23)29-32-13-2-14-33-29/h3-10,15-18H,1-2,11-14H2,(H,30,31)(H,32,33)
InChIKeyBHNVBSQEDZEPJC-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.89
Rot. Bonds4

About 2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine

2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 71533057) has the molecular formula C29H26N6O and a molecular weight of 474.57 g/mol. Its IUPAC name is 2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine
PubChem CID71533057
Molecular FormulaC29H26N6O
Molecular Weight474.57 g/mol
Exact Mass474.22
IUPAC Name2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine
SMILESc1cc2cc(-c3ccc(-c4ccc5nc(C6=NCCCN6)cn5c4)cc3)oc2cc1C1=NCCCN1
InChIInChI=1S/C29H26N6O/c1-11-30-28(31-12-1)22-8-7-21-15-25(36-26(21)16-22)20-5-3-19(4-6-20)23-9-10-27-34-24(18-35(27)17-23)29-32-13-2-14-33-29/h3-10,15-18H,1-2,11-14H2,(H,30,31)(H,32,33)
InChIKeyBHNVBSQEDZEPJC-UHFFFAOYSA-N
XLogP4.89
TPSA79.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine (CID 71533057) is 2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine is c1cc2cc(-c3ccc(-c4ccc5nc(C6=NCCCN6)cn5c4)cc3)oc2cc1C1=NCCCN1.
What is the InChIKey of 2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is BHNVBSQEDZEPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O/c1-11-30-28(31-12-1)22-8-7-21-15-25(36-26(21)16-22)20-5-3-19(4-6-20)23-9-10-27-34-24(18-35(27)17-23)29-32-13-2-14-33-29/h3-10,15-18H,1-2,11-14H2,(H,30,31)(H,32,33).
What are the key properties of 2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine?
2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 474.57 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 71533057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).