1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea

C17H18ClN5O4S — CID 71569571

IUPAC1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1nc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C17H18ClN5O4S/c18-13-4-2-1-3-11(13)10-20-28(26,27)12-5-6-14-15(9-12)22-16(21-14)23-17(25)19-7-8-24/h1-6,9,20,24H,7-8,10H2,(H3,19,21,22,23,25)
InChIKeyVGWIDAGZBUGQIO-UHFFFAOYSA-N
MW423.88 g/mol
LogP1.81
Rot. Bonds7

About 1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea

1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea (PubChem CID 71569571) has the molecular formula C17H18ClN5O4S and a molecular weight of 423.88 g/mol. Its IUPAC name is 1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea
PubChem CID71569571
Molecular FormulaC17H18ClN5O4S
Molecular Weight423.88 g/mol
Exact Mass423.08
IUPAC Name1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1nc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C17H18ClN5O4S/c18-13-4-2-1-3-11(13)10-20-28(26,27)12-5-6-14-15(9-12)22-16(21-14)23-17(25)19-7-8-24/h1-6,9,20,24H,7-8,10H2,(H3,19,21,22,23,25)
InChIKeyVGWIDAGZBUGQIO-UHFFFAOYSA-N
XLogP1.81
TPSA136.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 51.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea
CID 71569569
N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide
CID 141078201
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332
N-[2-chloro-4-[(2-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25037659
[2-(benzylcarbamoylamino)-3H-benzimidazol-5-yl] 2,6-dichlorobenzenesulfonate
CID 87123396
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea
CID 107653951
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
[6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride
CID 67736317
N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760517
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea (CID 71569571) is 1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1nc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2[nH]1.
What is the InChIKey of 1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea?
The InChIKey is VGWIDAGZBUGQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O4S/c18-13-4-2-1-3-11(13)10-20-28(26,27)12-5-6-14-15(9-12)22-16(21-14)23-17(25)19-7-8-24/h1-6,9,20,24H,7-8,10H2,(H3,19,21,22,23,25).
What are the key properties of 1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea?
1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea has a molecular weight of 423.88 g/mol, XLogP of 1.81, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 71569571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).