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

C22H24ClN5O5S — CID 118896408

IUPACN-[6-(4-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide
SMILESCCCOc1cc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)ccc1Cl
InChIInChI=1S/C22H24ClN5O5S/c1-5-8-32-19-9-14(6-7-15(19)23)33-20-11-18-17(27(3)22(29)28(18)4)10-16(20)25-34(30,31)21-12-26(2)13-24-21/h6-7,9-13,25H,5,8H2,1-4H3
InChIKeyFYJWPAWDPRMTSP-UHFFFAOYSA-N
MW505.98 g/mol
LogP3.65
Rot. Bonds8

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

N-[6-(4-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 118896408) has the molecular formula C22H24ClN5O5S and a molecular weight of 505.98 g/mol. Its IUPAC name is N-[6-(4-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(4-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide
PubChem CID118896408
Molecular FormulaC22H24ClN5O5S
Molecular Weight505.98 g/mol
Exact Mass505.12
IUPAC NameN-[6-(4-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide
SMILESCCCOc1cc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)ccc1Cl
InChIInChI=1S/C22H24ClN5O5S/c1-5-8-32-19-9-14(6-7-15(19)23)33-20-11-18-17(27(3)22(29)28(18)4)10-16(20)25-34(30,31)21-12-26(2)13-24-21/h6-7,9-13,25H,5,8H2,1-4H3
InChIKeyFYJWPAWDPRMTSP-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

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Related Compounds

N-[6-(2-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide
CID 118896513
6-[3-[1,3-dimethyl-6-[(1-methylimidazol-4-yl)sulfonylamino]-2-oxobenzimidazol-5-yl]oxy-5-propoxyphenoxy]hexylcarbamic acid
CID 118896551
N-[6-[3-(cyclopropylmethoxy)-4-fluorophenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 118896621
N-[1,3-dimethyl-6-[3-[4-(methylamino)butoxy]-5-propoxyphenoxy]-2-oxobenzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide
CID 118896837
N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 118909793
4-[3-[6-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-dimethyl-2-oxobenzimidazol-5-yl]oxy-5-propoxyphenoxy]butyl-trimethylazanium
CID 118896459
3-[(E)-6-aminohex-2-enoxy]-N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]benzenesulfonamide
CID 118896595
3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride
CID 62375451
N-[6-[3-cyano-5-(3-methoxypropoxy)phenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 118896643
N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide
CID 118896553
N-[6-[3-(6-aminohexoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfinamide
CID 145025893
N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide
CID 2811920

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[6-(4-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide (CID 118896408) is N-[6-(4-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[6-(4-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[6-(4-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide is CCCOc1cc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)ccc1Cl.
What is the InChIKey of N-[6-(4-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide?
The InChIKey is FYJWPAWDPRMTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O5S/c1-5-8-32-19-9-14(6-7-15(19)23)33-20-11-18-17(27(3)22(29)28(18)4)10-16(20)25-34(30,31)21-12-26(2)13-24-21/h6-7,9-13,25H,5,8H2,1-4H3.
What are the key properties of N-[6-(4-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide?
N-[6-(4-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-(4-chloro-3-propoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 118896408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).