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

C14H12N2O3 — CID 11196148

IUPAC5-(imidazol-1-ylmethyl)-7-methoxychromen-2-one
SMILESCOc1cc(Cn2ccnc2)c2ccc(=O)oc2c1
InChIInChI=1S/C14H12N2O3/c1-18-11-6-10(8-16-5-4-15-9-16)12-2-3-14(17)19-13(12)7-11/h2-7,9H,8H2,1H3
InChIKeyRTEPOVPUOGMDPA-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.05
Rot. Bonds3

About 5-(imidazol-1-ylmethyl)-7-methoxychromen-2-one

5-(imidazol-1-ylmethyl)-7-methoxychromen-2-one (PubChem CID 11196148) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-7-methoxychromen-2-one
PubChem CID11196148
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name5-(imidazol-1-ylmethyl)-7-methoxychromen-2-one
SMILESCOc1cc(Cn2ccnc2)c2ccc(=O)oc2c1
InChIInChI=1S/C14H12N2O3/c1-18-11-6-10(8-16-5-4-15-9-16)12-2-3-14(17)19-13(12)7-11/h2-7,9H,8H2,1H3
InChIKeyRTEPOVPUOGMDPA-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-7-methoxychromen-2-one?
The IUPAC name of 5-(imidazol-1-ylmethyl)-7-methoxychromen-2-one (CID 11196148) is 5-(imidazol-1-ylmethyl)-7-methoxychromen-2-one.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-7-methoxychromen-2-one?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-7-methoxychromen-2-one is COc1cc(Cn2ccnc2)c2ccc(=O)oc2c1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-7-methoxychromen-2-one?
The InChIKey is RTEPOVPUOGMDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-18-11-6-10(8-16-5-4-15-9-16)12-2-3-14(17)19-13(12)7-11/h2-7,9H,8H2,1H3.
What are the key properties of 5-(imidazol-1-ylmethyl)-7-methoxychromen-2-one?
5-(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 5-(imidazol-1-ylmethyl)-7-methoxychromen-2-one is sourced from PubChem (CID 11196148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).