(4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone

C16H16N4O5S — CID 112523118

IUPAC(4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone
SMILESNc1cccc2c1ncn2C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C16H16N4O5S/c17-11-2-1-3-12-15(11)18-10-20(12)16(21)13-4-5-14(25-13)26(22,23)19-6-8-24-9-7-19/h1-5,10H,6-9,17H2
InChIKeyKRIGCMLDYWGMIK-UHFFFAOYSA-N
MW376.39 g/mol
LogP0.92
Rot. Bonds3

About (4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone

(4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone (PubChem CID 112523118) has the molecular formula C16H16N4O5S and a molecular weight of 376.39 g/mol. Its IUPAC name is (4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone.

Molecular Properties

Compound Name(4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone
PubChem CID112523118
Molecular FormulaC16H16N4O5S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name(4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone
SMILESNc1cccc2c1ncn2C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C16H16N4O5S/c17-11-2-1-3-12-15(11)18-10-20(12)16(21)13-4-5-14(25-13)26(22,23)19-6-8-24-9-7-19/h1-5,10H,6-9,17H2
InChIKeyKRIGCMLDYWGMIK-UHFFFAOYSA-N
XLogP0.92
TPSA120.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone
CID 112526781
5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 39087927
N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 84578663
2-amino-6-morpholin-4-ylsulfonylphenol
CID 59675783
5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)furan-2-carboxamide
CID 30233770
N-[2-(dimethylamino)ethyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 110476324
N-(1H-indazol-3-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 112527883
5-morpholin-4-ylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-7-yl)furan-2-carboxamide
CID 112522783
N-(1H-indol-7-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 112526632
5-morpholin-4-ylsulfonyl-N-[1-(4-phenylphenyl)ethyl]furan-2-carboxamide
CID 46409252
5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid
CID 29077415
N-(3-morpholin-4-ylpropyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 35993608

Frequently Asked Questions

What is the IUPAC name of (4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone?
The IUPAC name of (4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone (CID 112523118) is (4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone.
What is the SMILES notation for (4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone?
The canonical SMILES for (4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone is Nc1cccc2c1ncn2C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1.
What is the InChIKey of (4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone?
The InChIKey is KRIGCMLDYWGMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5S/c17-11-2-1-3-12-15(11)18-10-20(12)16(21)13-4-5-14(25-13)26(22,23)19-6-8-24-9-7-19/h1-5,10H,6-9,17H2.
What are the key properties of (4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone?
(4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone has a molecular weight of 376.39 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone is sourced from PubChem (CID 112523118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).