5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one

C13H9BrN2O2 — CID 10566470

IUPAC5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one
SMILESO=c1ccoc2c(Cn3ccnc3)ccc(Br)c12
InChIInChI=1S/C13H9BrN2O2/c14-10-2-1-9(7-16-5-4-15-8-16)13-12(10)11(17)3-6-18-13/h1-6,8H,7H2
InChIKeyQYFIAVSWVXIKAW-UHFFFAOYSA-N
MW305.13 g/mol
LogP2.80
Rot. Bonds2

About 5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one

5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one (PubChem CID 10566470) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one
PubChem CID10566470
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one
SMILESO=c1ccoc2c(Cn3ccnc3)ccc(Br)c12
InChIInChI=1S/C13H9BrN2O2/c14-10-2-1-9(7-16-5-4-15-8-16)13-12(10)11(17)3-6-18-13/h1-6,8H,7H2
InChIKeyQYFIAVSWVXIKAW-UHFFFAOYSA-N
XLogP2.80
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Bromo-4-imidazol-1-ylmethyl-xanthen-9-one
CID 10546089
7-((1H-imidazol-1-yl)methyl)-4H-chromen-4-one
CID 10585323
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)-2-(4-bromophenyl)-4H-chromen-4-one
CID 11847318
4-Imidazol-1-ylmethylxanthen-9-one
CID 46867542
8-Imidazol-1-ylmethyl-4-oxo-4H-chromene-5-carbonitrile
CID 10562688
3-(Imidazol-1-ylmethyl)chromen-4-one
CID 127028818
3-Bromo-6-(imidazol-1-ylmethyl)xanthen-9-one
CID 145971322
1-[2-[(4-Bromophenyl)methoxy]phenyl]-3-imidazol-1-yl-propan-1-one
CID 71597447
1-[3-[(4-Bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)phenyl]hexan-1-one
CID 19857949
1-[4-[(4-Bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)phenyl]hexan-1-one
CID 19857961

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one?
The IUPAC name of 5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one (CID 10566470) is 5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one.
What is the SMILES notation for 5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one?
The canonical SMILES for 5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one is O=c1ccoc2c(Cn3ccnc3)ccc(Br)c12.
What is the InChIKey of 5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one?
The InChIKey is QYFIAVSWVXIKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c14-10-2-1-9(7-16-5-4-15-8-16)13-12(10)11(17)3-6-18-13/h1-6,8H,7H2.
What are the key properties of 5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one?
5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one has a molecular weight of 305.13 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one is sourced from PubChem (CID 10566470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).