2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide

C20H24ClN5O3S — CID 55626716

IUPAC2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide
SMILESCCCn1c(CNc2ccc(C(N)=O)c(Cl)c2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C20H24ClN5O3S/c1-4-9-26-18-8-6-14(30(28,29)25(2)3)11-17(18)24-19(26)12-23-13-5-7-15(20(22)27)16(21)10-13/h5-8,10-11,23H,4,9,12H2,1-3H3,(H2,22,27)
InChIKeyCKSPYTMQGJWSHY-UHFFFAOYSA-N
MW449.96 g/mol
LogP3.06
Rot. Bonds8

About 2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide

2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide (PubChem CID 55626716) has the molecular formula C20H24ClN5O3S and a molecular weight of 449.96 g/mol. Its IUPAC name is 2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide
PubChem CID55626716
Molecular FormulaC20H24ClN5O3S
Molecular Weight449.96 g/mol
Exact Mass449.13
IUPAC Name2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide
SMILESCCCn1c(CNc2ccc(C(N)=O)c(Cl)c2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C20H24ClN5O3S/c1-4-9-26-18-8-6-14(30(28,29)25(2)3)11-17(18)24-19(26)12-23-13-5-7-15(20(22)27)16(21)10-13/h5-8,10-11,23H,4,9,12H2,1-3H3,(H2,22,27)
InChIKeyCKSPYTMQGJWSHY-UHFFFAOYSA-N
XLogP3.06
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide?
The IUPAC name of 2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide (CID 55626716) is 2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide?
The canonical SMILES for 2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide is CCCn1c(CNc2ccc(C(N)=O)c(Cl)c2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide?
The InChIKey is CKSPYTMQGJWSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O3S/c1-4-9-26-18-8-6-14(30(28,29)25(2)3)11-17(18)24-19(26)12-23-13-5-7-15(20(22)27)16(21)10-13/h5-8,10-11,23H,4,9,12H2,1-3H3,(H2,22,27).
What are the key properties of 2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide?
2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide has a molecular weight of 449.96 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzamide is sourced from PubChem (CID 55626716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).