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

C18H21N5O4S — CID 71569569

IUPAC1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea
SMILESCc1cccc(CNS(=O)(=O)c2ccc3nc(NC(=O)NCCO)[nH]c3c2)c1
InChIInChI=1S/C18H21N5O4S/c1-12-3-2-4-13(9-12)11-20-28(26,27)14-5-6-15-16(10-14)22-17(21-15)23-18(25)19-7-8-24/h2-6,9-10,20,24H,7-8,11H2,1H3,(H3,19,21,22,23,25)
InChIKeyJEFMMAPUHJLXSX-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.46
Rot. Bonds7

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

1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea (PubChem CID 71569569) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea
PubChem CID71569569
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea
SMILESCc1cccc(CNS(=O)(=O)c2ccc3nc(NC(=O)NCCO)[nH]c3c2)c1
InChIInChI=1S/C18H21N5O4S/c1-12-3-2-4-13(9-12)11-20-28(26,27)14-5-6-15-16(10-14)22-17(21-15)23-18(25)19-7-8-24/h2-6,9-10,20,24H,7-8,11H2,1H3,(H3,19,21,22,23,25)
InChIKeyJEFMMAPUHJLXSX-UHFFFAOYSA-N
XLogP1.46
TPSA136.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea
CID 71569571
3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785691
N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide
CID 141078201
1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222648
N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665
4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide
CID 109057844
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583
N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109063623
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
CID 110760126
[2-(3-hydroxypropylcarbamoylamino)-3H-benzimidazol-5-yl] 4-[(4-methoxyphenyl)methylamino]benzenesulfonate
CID 87768684
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea (CID 71569569) is 1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea is Cc1cccc(CNS(=O)(=O)c2ccc3nc(NC(=O)NCCO)[nH]c3c2)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea?
The InChIKey is JEFMMAPUHJLXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-12-3-2-4-13(9-12)11-20-28(26,27)14-5-6-15-16(10-14)22-17(21-15)23-18(25)19-7-8-24/h2-6,9-10,20,24H,7-8,11H2,1H3,(H3,19,21,22,23,25).
What are the key properties of 1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea?
1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea has a molecular weight of 403.46 g/mol, XLogP of 1.46, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 71569569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).