2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide

C12H12N4O3S — CID 110873987

IUPAC2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCc3ccc[nH]3)cc2[nH]1
InChIInChI=1S/C12H12N4O3S/c17-12-15-10-4-3-9(6-11(10)16-12)20(18,19)14-7-8-2-1-5-13-8/h1-6,13-14H,7H2,(H2,15,16,17)
InChIKeyJHFOALNSLKWEHN-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.66
Rot. Bonds4

About 2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide

2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 110873987) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID110873987
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCc3ccc[nH]3)cc2[nH]1
InChIInChI=1S/C12H12N4O3S/c17-12-15-10-4-3-9(6-11(10)16-12)20(18,19)14-7-8-2-1-5-13-8/h1-6,13-14H,7H2,(H2,15,16,17)
InChIKeyJHFOALNSLKWEHN-UHFFFAOYSA-N
XLogP0.66
TPSA110.61 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779580
N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110672585
2-oxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 9452865
2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 49458352
3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate
CID 2207002
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427842
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110739187
2-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110405118
N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 114383991
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate
CID 7263204

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide (CID 110873987) is 2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCc3ccc[nH]3)cc2[nH]1.
What is the InChIKey of 2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is JHFOALNSLKWEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c17-12-15-10-4-3-9(6-11(10)16-12)20(18,19)14-7-8-2-1-5-13-8/h1-6,13-14H,7H2,(H2,15,16,17).
What are the key properties of 2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 292.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 110873987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).