3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one

C23H27ClN4O2 — CID 56521608

IUPAC3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one
SMILESCc1cn(CN(C)Cc2ccc(N3CCOCC3)cc2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClN4O2/c1-18-15-27(23(29)28(18)22-9-5-20(24)6-10-22)17-25(2)16-19-3-7-21(8-4-19)26-11-13-30-14-12-26/h3-10,15H,11-14,16-17H2,1-2H3
InChIKeyMIKNCANIQBYVQB-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.53
Rot. Bonds6

About 3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one

3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one (PubChem CID 56521608) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one
PubChem CID56521608
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one
SMILESCc1cn(CN(C)Cc2ccc(N3CCOCC3)cc2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClN4O2/c1-18-15-27(23(29)28(18)22-9-5-20(24)6-10-22)17-25(2)16-19-3-7-21(8-4-19)26-11-13-30-14-12-26/h3-10,15H,11-14,16-17H2,1-2H3
InChIKeyMIKNCANIQBYVQB-UHFFFAOYSA-N
XLogP3.53
TPSA42.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one 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 3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one?
The IUPAC name of 3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one (CID 56521608) is 3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one is Cc1cn(CN(C)Cc2ccc(N3CCOCC3)cc2)c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one?
The InChIKey is MIKNCANIQBYVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-18-15-27(23(29)28(18)22-9-5-20(24)6-10-22)17-25(2)16-19-3-7-21(8-4-19)26-11-13-30-14-12-26/h3-10,15H,11-14,16-17H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one?
3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one has a molecular weight of 426.95 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one is sourced from PubChem (CID 56521608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).