N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide

C22H24ClN5O5S — CID 118896513

IUPACN-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide
SMILESCCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)c1Cl
InChIInChI=1S/C22H24ClN5O5S/c1-5-9-32-17-7-6-8-18(21(17)23)33-19-11-16-15(27(3)22(29)28(16)4)10-14(19)25-34(30,31)20-12-26(2)13-24-20/h6-8,10-13,25H,5,9H2,1-4H3
InChIKeyMCEQKCRAOPUNNI-UHFFFAOYSA-N
MW505.98 g/mol
LogP3.65
Rot. Bonds8

About N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide

N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 118896513) has the molecular formula C22H24ClN5O5S and a molecular weight of 505.98 g/mol. Its IUPAC name is N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide
PubChem CID118896513
Molecular FormulaC22H24ClN5O5S
Molecular Weight505.98 g/mol
Exact Mass505.12
IUPAC NameN-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide
SMILESCCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)c1Cl
InChIInChI=1S/C22H24ClN5O5S/c1-5-9-32-17-7-6-8-18(21(17)23)33-19-11-16-15(27(3)22(29)28(16)4)10-14(19)25-34(30,31)20-12-26(2)13-24-20/h6-8,10-13,25H,5,9H2,1-4H3
InChIKeyMCEQKCRAOPUNNI-UHFFFAOYSA-N
XLogP3.65
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.98
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide 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 N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide (CID 118896513) is N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide is CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)c1Cl.
What is the InChIKey of N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide?
The InChIKey is MCEQKCRAOPUNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O5S/c1-5-9-32-17-7-6-8-18(21(17)23)33-19-11-16-15(27(3)22(29)28(16)4)10-14(19)25-34(30,31)20-12-26(2)13-24-20/h6-8,10-13,25H,5,9H2,1-4H3.
What are the key properties of N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide?
N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 505.98 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 118896513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).