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

C20H16N2O4 — CID 23644932

IUPAC2-imidazol-1-yl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2c(-n3ccnc3)oc3cc(OC)ccc3c2=O)cc1
InChIInChI=1S/C20H16N2O4/c1-24-14-5-3-13(4-6-14)18-19(23)16-8-7-15(25-2)11-17(16)26-20(18)22-10-9-21-12-22/h3-12H,1-2H3
InChIKeyDKRQMJKDYAXPTC-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.66
Rot. Bonds4

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

2-imidazol-1-yl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 23644932) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-imidazol-1-yl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-imidazol-1-yl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
PubChem CID23644932
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name2-imidazol-1-yl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2c(-n3ccnc3)oc3cc(OC)ccc3c2=O)cc1
InChIInChI=1S/C20H16N2O4/c1-24-14-5-3-13(4-6-14)18-19(23)16-8-7-15(25-2)11-17(16)26-20(18)22-10-9-21-12-22/h3-12H,1-2H3
InChIKeyDKRQMJKDYAXPTC-UHFFFAOYSA-N
XLogP3.66
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-((1H-imidazol-1-yl)methyl)-2-(4-methoxyphenyl)-4H-chromen-4-one
CID 11847320
2-(1H-imidazol-1-yl)-7-methoxy-3-phenyl-4H-chromen-4-one
CID 23644623
7-(benzyloxy)-2-(1H-imidazol-1-yl)-3-phenyl-4H-chromen-4-one
CID 23644933
7-(benzyloxy)-2-(1H-imidazol-1-yl)-3-(4-methoxyphenyl)-4H-chromen-4-one
CID 23644934
3-(Imidazol-1-ylmethyl)-6-pent-2-ynoxyxanthen-9-one
CID 156010928
1-(Imidazol-1-ylmethyl)-3-pent-2-ynoxyxanthen-9-one
CID 156013550
(2,4-dimethoxyphenyl){1-[(1-ethyl-1H-imidazol-2-yl)methyl]piperidin-3-yl}methanone
CID 16188268
1-(2,4-Dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 24819419
3-((1H-imidazol-1-yl)methyl)-2-(4-bromophenyl)-7-methoxy-4H-chromen-4-one
CID 11847170
4-(3-((1H-imidazol-1-yl)methyl)-7-methoxy-4-oxo-4H-chromen-2-yl)benzonitrile
CID 11847171
3-Imidazol-1-ylmethyl-7-methoxy-2-phenyl-chromen-4-one
CID 10711620
7-(4-Acetylphenoxy)-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-one
CID 51355974

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 2-imidazol-1-yl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one (CID 23644932) is 2-imidazol-1-yl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 2-imidazol-1-yl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 2-imidazol-1-yl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2c(-n3ccnc3)oc3cc(OC)ccc3c2=O)cc1.
What is the InChIKey of 2-imidazol-1-yl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is DKRQMJKDYAXPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-24-14-5-3-13(4-6-14)18-19(23)16-8-7-15(25-2)11-17(16)26-20(18)22-10-9-21-12-22/h3-12H,1-2H3.
What are the key properties of 2-imidazol-1-yl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
2-imidazol-1-yl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one has a molecular weight of 348.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 23644932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).