2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one

C25H18N2O3 — CID 23644933

IUPAC2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one
SMILESO=c1c(-c2ccccc2)c(-n2ccnc2)oc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C25H18N2O3/c28-24-21-12-11-20(29-16-18-7-3-1-4-8-18)15-22(21)30-25(27-14-13-26-17-27)23(24)19-9-5-2-6-10-19/h1-15,17H,16H2
InChIKeyRXWNXKWUPXPOAM-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.22
Rot. Bonds5

About 2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one

2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one (PubChem CID 23644933) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one
PubChem CID23644933
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC Name2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one
SMILESO=c1c(-c2ccccc2)c(-n2ccnc2)oc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C25H18N2O3/c28-24-21-12-11-20(29-16-18-7-3-1-4-8-18)15-22(21)30-25(27-14-13-26-17-27)23(24)19-9-5-2-6-10-19/h1-15,17H,16H2
InChIKeyRXWNXKWUPXPOAM-UHFFFAOYSA-N
XLogP5.22
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one?
The IUPAC name of 2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one (CID 23644933) is 2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one?
The canonical SMILES for 2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one is O=c1c(-c2ccccc2)c(-n2ccnc2)oc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one?
The InChIKey is RXWNXKWUPXPOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3/c28-24-21-12-11-20(29-16-18-7-3-1-4-8-18)15-22(21)30-25(27-14-13-26-17-27)23(24)19-9-5-2-6-10-19/h1-15,17H,16H2.
What are the key properties of 2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one?
2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one has a molecular weight of 394.43 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-3-phenyl-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 23644933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).