[2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone

C17H23N5O — CID 139470741

IUPAC[2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone
SMILESCNc1ccc(N2CC(C)N(C(=O)c3ncc[nH]3)C(C)C2)cc1
InChIInChI=1S/C17H23N5O/c1-12-10-21(15-6-4-14(18-3)5-7-15)11-13(2)22(12)17(23)16-19-8-9-20-16/h4-9,12-13,18H,10-11H2,1-3H3,(H,19,20)
InChIKeyGRZOOJBNQLCPEB-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.19
Rot. Bonds3

About [2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone

[2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone (PubChem CID 139470741) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is [2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name[2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone
PubChem CID139470741
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name[2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone
SMILESCNc1ccc(N2CC(C)N(C(=O)c3ncc[nH]3)C(C)C2)cc1
InChIInChI=1S/C17H23N5O/c1-12-10-21(15-6-4-14(18-3)5-7-15)11-13(2)22(12)17(23)16-19-8-9-20-16/h4-9,12-13,18H,10-11H2,1-3H3,(H,19,20)
InChIKeyGRZOOJBNQLCPEB-UHFFFAOYSA-N
XLogP2.19
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone 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 [2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone?
The IUPAC name of [2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone (CID 139470741) is [2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for [2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone?
The canonical SMILES for [2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone is CNc1ccc(N2CC(C)N(C(=O)c3ncc[nH]3)C(C)C2)cc1.
What is the InChIKey of [2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone?
The InChIKey is GRZOOJBNQLCPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-10-21(15-6-4-14(18-3)5-7-15)11-13(2)22(12)17(23)16-19-8-9-20-16/h4-9,12-13,18H,10-11H2,1-3H3,(H,19,20).
What are the key properties of [2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone?
[2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone has a molecular weight of 313.41 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-[4-(methylamino)phenyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 139470741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).