N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide

C19H20N4O4S — CID 2998889

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N4O4S/c24-19(20-13-18-21-16-3-1-2-4-17(16)22-18)14-5-7-15(8-6-14)28(25,26)23-9-11-27-12-10-23/h1-8H,9-13H2,(H,20,24)(H,21,22)
InChIKeyDHWVFHMWJDFWRS-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.51
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2998889) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2998889
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N4O4S/c24-19(20-13-18-21-16-3-1-2-4-17(16)22-18)14-5-7-15(8-6-14)28(25,26)23-9-11-27-12-10-23/h1-8H,9-13H2,(H,20,24)(H,21,22)
InChIKeyDHWVFHMWJDFWRS-UHFFFAOYSA-N
XLogP1.51
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 25190740
N-[(1S)-1-(1H-1,3-benzodiazol-2-yl)-2-[4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-5-yl)phenyl]ethyl]-4-methylbenzene-1-sulfonamide
CID 11679024
N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide
CID 955215
N-{1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl}benzamide
CID 2837113
2-[(4-acetylphenyl)sulfonylamino]-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 16348163
N-(1H-benzimidazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2311715
N-((1H-Benzo[d]imidazol-2-yl)methyl)-3-(morpholinosulfonyl)benzamide
CID 2351902
2-(4-Morpholin-4-ylmethyl-phenyl)-1H-benzoimidazole-4-carboxylic acid amide
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N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 68276611
{4-[4-(1H-Benzoimidazol-2-yl)-piperidine-1-sulfonyl]-phenyl}-morpholin-4-yl-methanone
CID 654402
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(1-piperidinylsulfonyl)benzamide
CID 1355735
N-(1-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-3-methyl-1-oxobut-2-en-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide (CID 2998889) is N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide is O=C(NCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DHWVFHMWJDFWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c24-19(20-13-18-21-16-3-1-2-4-17(16)22-18)14-5-7-15(8-6-14)28(25,26)23-9-11-27-12-10-23/h1-8H,9-13H2,(H,20,24)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 400.46 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2998889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).