2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one

C26H20N2O4 — CID 23644934

IUPAC2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one
SMILESCOc1ccc(-c2c(-n3ccnc3)oc3cc(OCc4ccccc4)ccc3c2=O)cc1
InChIInChI=1S/C26H20N2O4/c1-30-20-9-7-19(8-10-20)24-25(29)22-12-11-21(31-16-18-5-3-2-4-6-18)15-23(22)32-26(24)28-14-13-27-17-28/h2-15,17H,16H2,1H3
InChIKeyQPTRWYFTUZRBMT-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.23
Rot. Bonds6

About 2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one

2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one (PubChem CID 23644934) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one
PubChem CID23644934
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one
SMILESCOc1ccc(-c2c(-n3ccnc3)oc3cc(OCc4ccccc4)ccc3c2=O)cc1
InChIInChI=1S/C26H20N2O4/c1-30-20-9-7-19(8-10-20)24-25(29)22-12-11-21(31-16-18-5-3-2-4-6-18)15-23(22)32-26(24)28-14-13-27-17-28/h2-15,17H,16H2,1H3
InChIKeyQPTRWYFTUZRBMT-UHFFFAOYSA-N
XLogP5.23
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one?
The IUPAC name of 2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one (CID 23644934) is 2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one?
The canonical SMILES for 2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one is COc1ccc(-c2c(-n3ccnc3)oc3cc(OCc4ccccc4)ccc3c2=O)cc1.
What is the InChIKey of 2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one?
The InChIKey is QPTRWYFTUZRBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-30-20-9-7-19(8-10-20)24-25(29)22-12-11-21(31-16-18-5-3-2-4-6-18)15-23(22)32-26(24)28-14-13-27-17-28/h2-15,17H,16H2,1H3.
What are the key properties of 2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one?
2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one has a molecular weight of 424.46 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-3-(4-methoxyphenyl)-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 23644934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).