5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride

C14H20ClN5O4S — CID 119274754

IUPAC5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
SMILESCl.NCCC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C14H19N5O4S.ClH/c15-4-3-13(20)18-5-7-19(8-6-18)24(22,23)10-1-2-11-12(9-10)17-14(21)16-11;/h1-2,9H,3-8,15H2,(H2,16,17,21);1H
InChIKeyZQIHGZAVGLTGLO-UHFFFAOYSA-N
MW389.87 g/mol
LogP-0.54
Rot. Bonds4

About 5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride

5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride (PubChem CID 119274754) has the molecular formula C14H20ClN5O4S and a molecular weight of 389.87 g/mol. Its IUPAC name is 5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
PubChem CID119274754
Molecular FormulaC14H20ClN5O4S
Molecular Weight389.87 g/mol
Exact Mass389.09
IUPAC Name5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
SMILESCl.NCCC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C14H19N5O4S.ClH/c15-4-3-13(20)18-5-7-19(8-6-18)24(22,23)10-1-2-11-12(9-10)17-14(21)16-11;/h1-2,9H,3-8,15H2,(H2,16,17,21);1H
InChIKeyZQIHGZAVGLTGLO-UHFFFAOYSA-N
XLogP-0.54
TPSA132.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.87
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-amino-3-hydroxybutanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 167950186
5-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 119696032
3-amino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119270347
5-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 119696028
4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid
CID 119934831
3-amino-1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119302930
7-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]heptan-1-one
CID 119678275
6-(4-butanoylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 110817332
4-amino-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
CID 119265503
3-amino-1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269998
5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110398734
6-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 55559177

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The IUPAC name of 5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride (CID 119274754) is 5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride is Cl.NCCC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The InChIKey is ZQIHGZAVGLTGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4S.ClH/c15-4-3-13(20)18-5-7-19(8-6-18)24(22,23)10-1-2-11-12(9-10)17-14(21)16-11;/h1-2,9H,3-8,15H2,(H2,16,17,21);1H.
What are the key properties of 5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride?
5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride has a molecular weight of 389.87 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 119274754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).