5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one

C15H17N5O — CID 83094848

IUPAC5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one
SMILESCc1nn(C)cc1C1C(N)=NC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H17N5O/c1-10-12(9-19(2)18-10)13-14(16)17-15(21)20(13)8-11-6-4-3-5-7-11/h3-7,9,13H,8H2,1-2H3,(H2,16,17,21)
InChIKeyVRLQOYVMSRHLNE-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.76
Rot. Bonds3

About 5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one

5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one (PubChem CID 83094848) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one
PubChem CID83094848
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one
SMILESCc1nn(C)cc1C1C(N)=NC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H17N5O/c1-10-12(9-19(2)18-10)13-14(16)17-15(21)20(13)8-11-6-4-3-5-7-11/h3-7,9,13H,8H2,1-2H3,(H2,16,17,21)
InChIKeyVRLQOYVMSRHLNE-UHFFFAOYSA-N
XLogP1.76
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one (CID 83094848) is 5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one is Cc1nn(C)cc1C1C(N)=NC(=O)N1Cc1ccccc1.
What is the InChIKey of 5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one?
The InChIKey is VRLQOYVMSRHLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10-12(9-19(2)18-10)13-14(16)17-15(21)20(13)8-11-6-4-3-5-7-11/h3-7,9,13H,8H2,1-2H3,(H2,16,17,21).
What are the key properties of 5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one?
5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one has a molecular weight of 283.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one is sourced from PubChem (CID 83094848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).