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

C19H13BrN2O2 — CID 11847318

IUPAC2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)chromen-4-one
SMILESO=c1c(Cn2ccnc2)c(-c2ccc(Br)cc2)oc2ccccc12
InChIInChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)19-16(11-22-10-9-21-12-22)18(23)15-3-1-2-4-17(15)24-19/h1-10,12H,11H2
InChIKeyVPZRWXUJDQPWSY-UHFFFAOYSA-N
MW381.23 g/mol
LogP4.47
Rot. Bonds3

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

2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)chromen-4-one (PubChem CID 11847318) has the molecular formula C19H13BrN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)chromen-4-one
PubChem CID11847318
Molecular FormulaC19H13BrN2O2
Molecular Weight381.23 g/mol
Exact Mass380.02
IUPAC Name2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)chromen-4-one
SMILESO=c1c(Cn2ccnc2)c(-c2ccc(Br)cc2)oc2ccccc12
InChIInChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)19-16(11-22-10-9-21-12-22)18(23)15-3-1-2-4-17(15)24-19/h1-10,12H,11H2
InChIKeyVPZRWXUJDQPWSY-UHFFFAOYSA-N
XLogP4.47
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-1-imidazol-1-ylmethyl-xanthen-9-one
CID 10473365
1-Bromo-4-imidazol-1-ylmethyl-xanthen-9-one
CID 10546089
3-((1H-imidazol-1-yl)methyl)-9H-xanthen-9-one
CID 10588478
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-(Imidazolylmethyl)flavone
CID 11847316
4-(3-((1H-imidazol-1-yl)methyl)-4-oxo-4H-chromen-2-yl)benzonitrile
CID 11847319
3-((1H-imidazol-1-yl)methyl)-2-(4-methoxyphenyl)-4H-chromen-4-one
CID 11847320
4-Imidazol-1-ylmethylxanthen-9-one
CID 46867542
2-Imidazol-1-ylmethylxanthen-9-one
CID 46867544
1-Imidazol-1-ylmethylxanthen-9-one
CID 46867545
5-Bromo-8-imidazol-1-ylmethyl-chromen-4-one
CID 10566470

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)chromen-4-one?
The IUPAC name of 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)chromen-4-one (CID 11847318) is 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)chromen-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)chromen-4-one?
The canonical SMILES for 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)chromen-4-one is O=c1c(Cn2ccnc2)c(-c2ccc(Br)cc2)oc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)chromen-4-one?
The InChIKey is VPZRWXUJDQPWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)19-16(11-22-10-9-21-12-22)18(23)15-3-1-2-4-17(15)24-19/h1-10,12H,11H2.
What are the key properties of 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)chromen-4-one?
2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)chromen-4-one has a molecular weight of 381.23 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(imidazol-1-ylmethyl)chromen-4-one is sourced from PubChem (CID 11847318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).