1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one

C17H17N3O — CID 651451

IUPAC1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one
SMILESCc1cccc(NC2=NCC(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C17H17N3O/c1-13-6-5-9-15(10-13)19-17-18-11-16(21)20(17)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyHFCNTKAOBXLYII-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.81
Rot. Bonds3

About 1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one

1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one (PubChem CID 651451) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one.

Molecular Properties

Compound Name1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one
PubChem CID651451
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one
SMILESCc1cccc(NC2=NCC(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C17H17N3O/c1-13-6-5-9-15(10-13)19-17-18-11-16(21)20(17)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyHFCNTKAOBXLYII-UHFFFAOYSA-N
XLogP2.81
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one?
The IUPAC name of 1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one (CID 651451) is 1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one.
What is the SMILES notation for 1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one?
The canonical SMILES for 1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one is Cc1cccc(NC2=NCC(=O)N2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one?
The InChIKey is HFCNTKAOBXLYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-6-5-9-15(10-13)19-17-18-11-16(21)20(17)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,19).
What are the key properties of 1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one?
1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one has a molecular weight of 279.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one is sourced from PubChem (CID 651451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).