6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one

C14H12N4O2 — CID 168628769

IUPAC6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one
SMILESCc1cn(N=Cc2ccc3oc(=O)ccc3c2)c(N)n1
InChIInChI=1S/C14H12N4O2/c1-9-8-18(14(15)17-9)16-7-10-2-4-12-11(6-10)3-5-13(19)20-12/h2-8H,1H3,(H2,15,17)
InChIKeyWSEDLVXWKMPZMF-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.76
Rot. Bonds2

About 6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one

6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one (PubChem CID 168628769) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one.

Molecular Properties

Compound Name6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one
PubChem CID168628769
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one
SMILESCc1cn(N=Cc2ccc3oc(=O)ccc3c2)c(N)n1
InChIInChI=1S/C14H12N4O2/c1-9-8-18(14(15)17-9)16-7-10-2-4-12-11(6-10)3-5-13(19)20-12/h2-8H,1H3,(H2,15,17)
InChIKeyWSEDLVXWKMPZMF-UHFFFAOYSA-N
XLogP1.76
TPSA86.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]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 6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one?
The IUPAC name of 6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one (CID 168628769) is 6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one.
What is the SMILES notation for 6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one?
The canonical SMILES for 6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one is Cc1cn(N=Cc2ccc3oc(=O)ccc3c2)c(N)n1.
What is the InChIKey of 6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one?
The InChIKey is WSEDLVXWKMPZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-8-18(14(15)17-9)16-7-10-2-4-12-11(6-10)3-5-13(19)20-12/h2-8H,1H3,(H2,15,17).
What are the key properties of 6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one?
6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one has a molecular weight of 268.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one is sourced from PubChem (CID 168628769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).