2-(2-methylphenyl)imidazol-4-one

C10H8N2O — CID 57153747

IUPAC2-(2-methylphenyl)imidazol-4-one
SMILESCc1ccccc1C1=NC(=O)C=N1
InChIInChI=1S/C10H8N2O/c1-7-4-2-3-5-8(7)10-11-6-9(13)12-10/h2-6H,1H3
InChIKeyPYAMLVSIKRCXOW-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.35
Rot. Bonds1

About 2-(2-methylphenyl)imidazol-4-one

2-(2-methylphenyl)imidazol-4-one (PubChem CID 57153747) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-(2-methylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)imidazol-4-one
PubChem CID57153747
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-(2-methylphenyl)imidazol-4-one
SMILESCc1ccccc1C1=NC(=O)C=N1
InChIInChI=1S/C10H8N2O/c1-7-4-2-3-5-8(7)10-11-6-9(13)12-10/h2-6H,1H3
InChIKeyPYAMLVSIKRCXOW-UHFFFAOYSA-N
XLogP1.35
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)imidazol-4-one?
The IUPAC name of 2-(2-methylphenyl)imidazol-4-one (CID 57153747) is 2-(2-methylphenyl)imidazol-4-one.
What is the SMILES notation for 2-(2-methylphenyl)imidazol-4-one?
The canonical SMILES for 2-(2-methylphenyl)imidazol-4-one is Cc1ccccc1C1=NC(=O)C=N1.
What is the InChIKey of 2-(2-methylphenyl)imidazol-4-one?
The InChIKey is PYAMLVSIKRCXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-7-4-2-3-5-8(7)10-11-6-9(13)12-10/h2-6H,1H3.
What are the key properties of 2-(2-methylphenyl)imidazol-4-one?
2-(2-methylphenyl)imidazol-4-one has a molecular weight of 172.19 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)imidazol-4-one is sourced from PubChem (CID 57153747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).