2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one

C20H15BrN2O3 — CID 11847170

IUPAC2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(Cn3ccnc3)c(-c3ccc(Br)cc3)oc2c1
InChIInChI=1S/C20H15BrN2O3/c1-25-15-6-7-16-18(10-15)26-20(13-2-4-14(21)5-3-13)17(19(16)24)11-23-9-8-22-12-23/h2-10,12H,11H2,1H3
InChIKeyDWMSDWDWUCFTQZ-UHFFFAOYSA-N
MW411.26 g/mol
LogP4.48
Rot. Bonds4

About 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one

2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one (PubChem CID 11847170) has the molecular formula C20H15BrN2O3 and a molecular weight of 411.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one
PubChem CID11847170
Molecular FormulaC20H15BrN2O3
Molecular Weight411.26 g/mol
Exact Mass410.03
IUPAC Name2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(Cn3ccnc3)c(-c3ccc(Br)cc3)oc2c1
InChIInChI=1S/C20H15BrN2O3/c1-25-15-6-7-16-18(10-15)26-20(13-2-4-14(21)5-3-13)17(19(16)24)11-23-9-8-22-12-23/h2-10,12H,11H2,1H3
InChIKeyDWMSDWDWUCFTQZ-UHFFFAOYSA-N
XLogP4.48
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Bromo-4-imidazol-1-ylmethyl-xanthen-9-one
CID 10546089
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-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-bromophenyl)-4H-chromen-4-one
CID 11847318
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
2-(1H-imidazol-1-yl)-7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one
CID 23644932
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one?
The IUPAC name of 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one (CID 11847170) is 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one?
The canonical SMILES for 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one is COc1ccc2c(=O)c(Cn3ccnc3)c(-c3ccc(Br)cc3)oc2c1.
What is the InChIKey of 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one?
The InChIKey is DWMSDWDWUCFTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O3/c1-25-15-6-7-16-18(10-15)26-20(13-2-4-14(21)5-3-13)17(19(16)24)11-23-9-8-22-12-23/h2-10,12H,11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one?
2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one has a molecular weight of 411.26 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)-7-methoxychromen-4-one is sourced from PubChem (CID 11847170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).