7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol

C14H15BrN2O2 — CID 114714825

IUPAC7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCn1cncc1C1CC(O)c2ccc(Br)cc2O1
InChIInChI=1S/C14H15BrN2O2/c1-2-17-8-16-7-11(17)14-6-12(18)10-4-3-9(15)5-13(10)19-14/h3-5,7-8,12,14,18H,2,6H2,1H3
InChIKeyPJBYPSRHJJCOLQ-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.22
Rot. Bonds2

About 7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol

7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714825) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714825
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCn1cncc1C1CC(O)c2ccc(Br)cc2O1
InChIInChI=1S/C14H15BrN2O2/c1-2-17-8-16-7-11(17)14-6-12(18)10-4-3-9(15)5-13(10)19-14/h3-5,7-8,12,14,18H,2,6H2,1H3
InChIKeyPJBYPSRHJJCOLQ-UHFFFAOYSA-N
XLogP3.22
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol 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

(4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951991
(4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948826
7-bromo-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114714674
(4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948434
(4S)-7-fluoro-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951809
(4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951594
7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714756
(4R)-7-bromo-2-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104949397
(4S)-7-bromo-2-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104980275
7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714730
6-bromo-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 103571234
(4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106534714

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol (CID 114714825) is 7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol is CCn1cncc1C1CC(O)c2ccc(Br)cc2O1.
What is the InChIKey of 7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is PJBYPSRHJJCOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-2-17-8-16-7-11(17)14-6-12(18)10-4-3-9(15)5-13(10)19-14/h3-5,7-8,12,14,18H,2,6H2,1H3.
What are the key properties of 7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 323.19 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).