2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine

C23H19N5O2 — CID 53321324

IUPAC2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(/C=C/c2nc(N)c3c(n2)oc2ccccc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H19N5O2/c1-14-12-28(13-25-14)17-9-7-15(11-19(17)29-2)8-10-20-26-22(24)21-16-5-3-4-6-18(16)30-23(21)27-20/h3-13H,1-2H3,(H2,24,26,27)/b10-8+
InChIKeyLSDIFZDSLPSZLD-CSKARUKUSA-N
MW397.44 g/mol
LogP4.63
Rot. Bonds4

About 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine

2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine (PubChem CID 53321324) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine
PubChem CID53321324
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(/C=C/c2nc(N)c3c(n2)oc2ccccc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H19N5O2/c1-14-12-28(13-25-14)17-9-7-15(11-19(17)29-2)8-10-20-26-22(24)21-16-5-3-4-6-18(16)30-23(21)27-20/h3-13H,1-2H3,(H2,24,26,27)/b10-8+
InChIKeyLSDIFZDSLPSZLD-CSKARUKUSA-N
XLogP4.63
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine (CID 53321324) is 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine is COc1cc(/C=C/c2nc(N)c3c(n2)oc2ccccc23)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine?
The InChIKey is LSDIFZDSLPSZLD-CSKARUKUSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-14-12-28(13-25-14)17-9-7-15(11-19(17)29-2)8-10-20-26-22(24)21-16-5-3-4-6-18(16)30-23(21)27-20/h3-13H,1-2H3,(H2,24,26,27)/b10-8+.
What are the key properties of 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine?
2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine has a molecular weight of 397.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-[1]benzofuro[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 53321324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).