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

C14H12N2O3 — CID 127027569

IUPAC2-(imidazol-1-ylmethyl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)cc(Cn3ccnc3)oc2c1
InChIInChI=1S/C14H12N2O3/c1-18-10-2-3-12-13(17)6-11(19-14(12)7-10)8-16-5-4-15-9-16/h2-7,9H,8H2,1H3
InChIKeyAFYIVBZLHCYIPP-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.05
Rot. Bonds3

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

2-(imidazol-1-ylmethyl)-7-methoxychromen-4-one (PubChem CID 127027569) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(imidazol-1-ylmethyl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name2-(imidazol-1-ylmethyl)-7-methoxychromen-4-one
PubChem CID127027569
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(imidazol-1-ylmethyl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)cc(Cn3ccnc3)oc2c1
InChIInChI=1S/C14H12N2O3/c1-18-10-2-3-12-13(17)6-11(19-14(12)7-10)8-16-5-4-15-9-16/h2-7,9H,8H2,1H3
InChIKeyAFYIVBZLHCYIPP-UHFFFAOYSA-N
XLogP2.05
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(imidazol-1-ylmethyl)-7-methoxychromen-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

Dazoxiben
CID 53001
Dazoxiben Hydrochloride
CID 53000
1-(1H-Imidazol-1-yl)-3-phenoxypropan-2-yl 4-methoxybenzoate
CID 2827372
1-[(6-methoxybenzofuran-2-yl)-(4-methoxyphenyl)methyl]-1H-imidazole
CID 10404636
2H-1-Benzopyran-2-one, 4-(1H-imidazol-1-ylmethyl)-7-methoxy-
CID 11288325
3-(Imidazolylmethyl)flavone
CID 11847316
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-(imidazol-1-ylmethyl)-7-methoxychromen-4-one?
The IUPAC name of 2-(imidazol-1-ylmethyl)-7-methoxychromen-4-one (CID 127027569) is 2-(imidazol-1-ylmethyl)-7-methoxychromen-4-one.
What is the SMILES notation for 2-(imidazol-1-ylmethyl)-7-methoxychromen-4-one?
The canonical SMILES for 2-(imidazol-1-ylmethyl)-7-methoxychromen-4-one is COc1ccc2c(=O)cc(Cn3ccnc3)oc2c1.
What is the InChIKey of 2-(imidazol-1-ylmethyl)-7-methoxychromen-4-one?
The InChIKey is AFYIVBZLHCYIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-18-10-2-3-12-13(17)6-11(19-14(12)7-10)8-16-5-4-15-9-16/h2-7,9H,8H2,1H3.
What are the key properties of 2-(imidazol-1-ylmethyl)-7-methoxychromen-4-one?
2-(imidazol-1-ylmethyl)-7-methoxychromen-4-one has a molecular weight of 256.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazol-1-ylmethyl)-7-methoxychromen-4-one is sourced from PubChem (CID 127027569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).