N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide

C19H20N4O4S — CID 2351902

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20N4O4S/c24-19(20-13-18-21-16-6-1-2-7-17(16)22-18)14-4-3-5-15(12-14)28(25,26)23-8-10-27-11-9-23/h1-7,12H,8-11,13H2,(H,20,24)(H,21,22)
InChIKeySXWPQXAVPOBAOY-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.51
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2351902) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2351902
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20N4O4S/c24-19(20-13-18-21-16-6-1-2-7-17(16)22-18)14-4-3-5-15(12-14)28(25,26)23-8-10-27-11-9-23/h1-7,12H,8-11,13H2,(H,20,24)(H,21,22)
InChIKeySXWPQXAVPOBAOY-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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N-{1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl}benzamide
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2-[(4-acetylphenyl)sulfonylamino]-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
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N-(1-propyl-2-benzimidazolyl)-3-(1-pyrrolidinylsulfonyl)benzamide
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2-(4-Morpholin-4-ylmethyl-phenyl)-1H-benzoimidazole-4-carboxylic acid amide
CID 44317906
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
CID 1615970
3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(1H-benzimidazol-2-yl)benzamide
CID 2116482

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide (CID 2351902) is N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(NCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SXWPQXAVPOBAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c24-19(20-13-18-21-16-6-1-2-7-17(16)22-18)14-4-3-5-15(12-14)28(25,26)23-8-10-27-11-9-23/h1-7,12H,8-11,13H2,(H,20,24)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-3-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)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2351902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).