4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid

C15H20N4O5S — CID 119934831

IUPAC4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C15H20N4O5S/c20-14(21)2-1-5-18-6-8-19(9-7-18)25(23,24)11-3-4-12-13(10-11)17-15(22)16-12/h3-4,10H,1-2,5-9H2,(H,20,21)(H2,16,17,22)
InChIKeyAOPGJGWVNAZJMZ-UHFFFAOYSA-N
MW368.42 g/mol
LogP0.03
Rot. Bonds6

About 4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid

4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid (PubChem CID 119934831) has the molecular formula C15H20N4O5S and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid
PubChem CID119934831
Molecular FormulaC15H20N4O5S
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C15H20N4O5S/c20-14(21)2-1-5-18-6-8-19(9-7-18)25(23,24)11-3-4-12-13(10-11)17-15(22)16-12/h3-4,10H,1-2,5-9H2,(H,20,21)(H2,16,17,22)
InChIKeyAOPGJGWVNAZJMZ-UHFFFAOYSA-N
XLogP0.03
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 119274754
5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110398734
N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 167975731
5-[4-(4-amino-3-hydroxybutanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 167950186
5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 60538576
5-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 119696032
5-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 119696028
5-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 60505532
5-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 146084118
1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 46966762
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 18524431
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 113075154

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid (CID 119934831) is 4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid is O=C(O)CCCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid?
The InChIKey is AOPGJGWVNAZJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S/c20-14(21)2-1-5-18-6-8-19(9-7-18)25(23,24)11-3-4-12-13(10-11)17-15(22)16-12/h3-4,10H,1-2,5-9H2,(H,20,21)(H2,16,17,22).
What are the key properties of 4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid?
4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid has a molecular weight of 368.42 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid is sourced from PubChem (CID 119934831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).