3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one

C13H12N4O — CID 10421762

IUPAC3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one
SMILESCc1[nH]cnc1Cn1cnc2ccccc2c1=O
InChIInChI=1S/C13H12N4O/c1-9-12(15-7-14-9)6-17-8-16-11-5-3-2-4-10(11)13(17)18/h2-5,7-8H,6H2,1H3,(H,14,15)
InChIKeyJHRLCGQLWWZOHI-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.48
Rot. Bonds2

About 3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one

3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one (PubChem CID 10421762) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one
PubChem CID10421762
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one
SMILESCc1[nH]cnc1Cn1cnc2ccccc2c1=O
InChIInChI=1S/C13H12N4O/c1-9-12(15-7-14-9)6-17-8-16-11-5-3-2-4-10(11)13(17)18/h2-5,7-8H,6H2,1H3,(H,14,15)
InChIKeyJHRLCGQLWWZOHI-UHFFFAOYSA-N
XLogP1.48
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one?
The IUPAC name of 3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one (CID 10421762) is 3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one is Cc1[nH]cnc1Cn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one?
The InChIKey is JHRLCGQLWWZOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-12(15-7-14-9)6-17-8-16-11-5-3-2-4-10(11)13(17)18/h2-5,7-8H,6H2,1H3,(H,14,15).
What are the key properties of 3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one?
3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one has a molecular weight of 240.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 10421762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).