1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea

C23H25ClFN7O2 — CID 58787270

IUPAC1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea
SMILESCN(C)Cc1nccn1-c1ccc(N2CCCN(NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1
InChIInChI=1S/C23H25ClFN7O2/c1-29(2)15-21-26-10-13-30(21)18-8-9-20(19(25)14-18)31-11-3-12-32(23(31)34)28-22(33)27-17-6-4-16(24)5-7-17/h4-10,13-14H,3,11-12,15H2,1-2H3,(H2,27,28,33)
InChIKeySRBNMCQPDIUNQB-UHFFFAOYSA-N
MW485.95 g/mol
LogP4.10
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea

1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea (PubChem CID 58787270) has the molecular formula C23H25ClFN7O2 and a molecular weight of 485.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea
PubChem CID58787270
Molecular FormulaC23H25ClFN7O2
Molecular Weight485.95 g/mol
Exact Mass485.17
IUPAC Name1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea
SMILESCN(C)Cc1nccn1-c1ccc(N2CCCN(NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1
InChIInChI=1S/C23H25ClFN7O2/c1-29(2)15-21-26-10-13-30(21)18-8-9-20(19(25)14-18)31-11-3-12-32(23(31)34)28-22(33)27-17-6-4-16(24)5-7-17/h4-10,13-14H,3,11-12,15H2,1-2H3,(H2,27,28,33)
InChIKeySRBNMCQPDIUNQB-UHFFFAOYSA-N
XLogP4.10
TPSA85.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea 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 1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea (CID 58787270) is 1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea is CN(C)Cc1nccn1-c1ccc(N2CCCN(NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea?
The InChIKey is SRBNMCQPDIUNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN7O2/c1-29(2)15-21-26-10-13-30(21)18-8-9-20(19(25)14-18)31-11-3-12-32(23(31)34)28-22(33)27-17-6-4-16(24)5-7-17/h4-10,13-14H,3,11-12,15H2,1-2H3,(H2,27,28,33).
What are the key properties of 1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea?
1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea has a molecular weight of 485.95 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxo-1,3-diazinan-1-yl]urea is sourced from PubChem (CID 58787270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).