3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one

C20H16N2O3 — CID 11847320

IUPAC3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3ccccc3c(=O)c2Cn2ccnc2)cc1
InChIInChI=1S/C20H16N2O3/c1-24-15-8-6-14(7-9-15)20-17(12-22-11-10-21-13-22)19(23)16-4-2-3-5-18(16)25-20/h2-11,13H,12H2,1H3
InChIKeyGMZSVBKZQWIFKJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.71
Rot. Bonds4

About 3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one

3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 11847320) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one
PubChem CID11847320
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3ccccc3c(=O)c2Cn2ccnc2)cc1
InChIInChI=1S/C20H16N2O3/c1-24-15-8-6-14(7-9-15)20-17(12-22-11-10-21-13-22)19(23)16-4-2-3-5-18(16)25-20/h2-11,13H,12H2,1H3
InChIKeyGMZSVBKZQWIFKJ-UHFFFAOYSA-N
XLogP3.71
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-Imidazol-1-yl)-3-phenoxypropan-2-yl 4-methoxybenzoate
CID 2827372
7-((1H-imidazol-1-yl)methyl)-4H-chromen-4-one
CID 10585323
3-((1H-imidazol-1-yl)methyl)-9H-xanthen-9-one
CID 10588478
7-Benzyloxy-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-one
CID 11232831
4-[(R)-1H-imidazol-1-yl(4-oxo-4H-chromen-3-yl)methyl]benzonitrile
CID 11544414
4-[(S)-1H-imidazol-1-yl(4-oxo-4H-chromen-3-yl)methyl]benzonitrile
CID 11573432
3-[(S)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H-chromen-4-one
CID 11639518
3-[(R)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H-chromen-4-one
CID 11696602
3-(1H-Imidazol-1-ylmethyl)-7-methoxy-4-phenyl-2H-chromen-2-one
CID 11739060
3-((1H-imidazol-1-yl)methyl)-7-methoxy-2-(4-nitrophenyl)-4H-chromen-4-one
CID 11847169
3-(Imidazolylmethyl)flavone
CID 11847316
3-((1H-imidazol-1-yl)methyl)-2-(4-nitrophenyl)-4H-chromen-4-one
CID 11847317

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one (CID 11847320) is 3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2oc3ccccc3c(=O)c2Cn2ccnc2)cc1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is GMZSVBKZQWIFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-24-15-8-6-14(7-9-15)20-17(12-22-11-10-21-13-22)19(23)16-4-2-3-5-18(16)25-20/h2-11,13H,12H2,1H3.
What are the key properties of 3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one?
3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 332.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 11847320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).