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

C14H12N2O3 — CID 11448232

IUPAC3-(imidazol-1-ylmethyl)-7-methoxychromen-2-one
SMILESCOc1ccc2cc(Cn3ccnc3)c(=O)oc2c1
InChIInChI=1S/C14H12N2O3/c1-18-12-3-2-10-6-11(8-16-5-4-15-9-16)14(17)19-13(10)7-12/h2-7,9H,8H2,1H3
InChIKeyWCARVFSVMARCII-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.05
Rot. Bonds3

About 3-(imidazol-1-ylmethyl)-7-methoxychromen-2-one

3-(imidazol-1-ylmethyl)-7-methoxychromen-2-one (PubChem CID 11448232) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-7-methoxychromen-2-one
PubChem CID11448232
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name3-(imidazol-1-ylmethyl)-7-methoxychromen-2-one
SMILESCOc1ccc2cc(Cn3ccnc3)c(=O)oc2c1
InChIInChI=1S/C14H12N2O3/c1-18-12-3-2-10-6-11(8-16-5-4-15-9-16)14(17)19-13(10)7-12/h2-7,9H,8H2,1H3
InChIKeyWCARVFSVMARCII-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

Computed Properties (RDKit)

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

Analyze 3-(imidazol-1-ylmethyl)-7-methoxychromen-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 3-(imidazol-1-ylmethyl)-7-methoxychromen-2-one?
The IUPAC name of 3-(imidazol-1-ylmethyl)-7-methoxychromen-2-one (CID 11448232) is 3-(imidazol-1-ylmethyl)-7-methoxychromen-2-one.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-7-methoxychromen-2-one?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-7-methoxychromen-2-one is COc1ccc2cc(Cn3ccnc3)c(=O)oc2c1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-7-methoxychromen-2-one?
The InChIKey is WCARVFSVMARCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-18-12-3-2-10-6-11(8-16-5-4-15-9-16)14(17)19-13(10)7-12/h2-7,9H,8H2,1H3.
What are the key properties of 3-(imidazol-1-ylmethyl)-7-methoxychromen-2-one?
3-(imidazol-1-ylmethyl)-7-methoxychromen-2-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 3-(imidazol-1-ylmethyl)-7-methoxychromen-2-one is sourced from PubChem (CID 11448232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).