4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one

C21H18N2O4 — CID 51355704

IUPAC4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one
SMILESCOc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
InChIInChI=1S/C21H18N2O4/c1-25-17-4-2-15(3-5-17)13-26-18-6-7-19-16(12-23-9-8-22-14-23)10-21(24)27-20(19)11-18/h2-11,14H,12-13H2,1H3
InChIKeyUWOFKXQBCKSFJQ-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.63
Rot. Bonds6

About 4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one

4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one (PubChem CID 51355704) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one
PubChem CID51355704
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one
SMILESCOc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
InChIInChI=1S/C21H18N2O4/c1-25-17-4-2-15(3-5-17)13-26-18-6-7-19-16(12-23-9-8-22-14-23)10-21(24)27-20(19)11-18/h2-11,14H,12-13H2,1H3
InChIKeyUWOFKXQBCKSFJQ-UHFFFAOYSA-N
XLogP3.63
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one?
The IUPAC name of 4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one (CID 51355704) is 4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one is COc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one?
The InChIKey is UWOFKXQBCKSFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-25-17-4-2-15(3-5-17)13-26-18-6-7-19-16(12-23-9-8-22-14-23)10-21(24)27-20(19)11-18/h2-11,14H,12-13H2,1H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one?
4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one has a molecular weight of 362.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methoxy]chromen-2-one is sourced from PubChem (CID 51355704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).