[3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate

C24H23ClN4O4S — CID 59763991

IUPAC[3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate
SMILESCc1cc(C2(c3cccc(-c4cc(Cl)cc(OS(C)(=O)=O)c4)c3)N=C(N)N(C)C2=O)cc(C)n1
InChIInChI=1S/C24H23ClN4O4S/c1-14-8-19(9-15(2)27-14)24(22(30)29(3)23(26)28-24)18-7-5-6-16(10-18)17-11-20(25)13-21(12-17)33-34(4,31)32/h5-13H,1-4H3,(H2,26,28)
InChIKeySPBNHCQHWIKXDQ-UHFFFAOYSA-N
MW498.99 g/mol
LogP3.39
Rot. Bonds5

About [3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate

[3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate (PubChem CID 59763991) has the molecular formula C24H23ClN4O4S and a molecular weight of 498.99 g/mol. Its IUPAC name is [3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate.

Molecular Properties

Compound Name[3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate
PubChem CID59763991
Molecular FormulaC24H23ClN4O4S
Molecular Weight498.99 g/mol
Exact Mass498.11
IUPAC Name[3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate
SMILESCc1cc(C2(c3cccc(-c4cc(Cl)cc(OS(C)(=O)=O)c4)c3)N=C(N)N(C)C2=O)cc(C)n1
InChIInChI=1S/C24H23ClN4O4S/c1-14-8-19(9-15(2)27-14)24(22(30)29(3)23(26)28-24)18-7-5-6-16(10-18)17-11-20(25)13-21(12-17)33-34(4,31)32/h5-13H,1-4H3,(H2,26,28)
InChIKeySPBNHCQHWIKXDQ-UHFFFAOYSA-N
XLogP3.39
TPSA114.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.99
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate 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-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate?
The IUPAC name of [3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate (CID 59763991) is [3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate.
What is the SMILES notation for [3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate?
The canonical SMILES for [3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate is Cc1cc(C2(c3cccc(-c4cc(Cl)cc(OS(C)(=O)=O)c4)c3)N=C(N)N(C)C2=O)cc(C)n1.
What is the InChIKey of [3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate?
The InChIKey is SPBNHCQHWIKXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4S/c1-14-8-19(9-15(2)27-14)24(22(30)29(3)23(26)28-24)18-7-5-6-16(10-18)17-11-20(25)13-21(12-17)33-34(4,31)32/h5-13H,1-4H3,(H2,26,28).
What are the key properties of [3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate?
[3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate has a molecular weight of 498.99 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[2-amino-4-(2,6-dimethyl-4-pyridinyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorophenyl] methanesulfonate is sourced from PubChem (CID 59763991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).