5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one

C14H18N4O2 — CID 96680051

IUPAC5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(CCN1CCNCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H18N4O2/c19-13(3-6-18-7-4-15-5-8-18)10-1-2-11-12(9-10)17-14(20)16-11/h1-2,9,15H,3-8H2,(H2,16,17,20)
InChIKeyNVYNSKHTQGKWRT-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.33
Rot. Bonds4

About 5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one

5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 96680051) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID96680051
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(CCN1CCNCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H18N4O2/c19-13(3-6-18-7-4-15-5-8-18)10-1-2-11-12(9-10)17-14(20)16-11/h1-2,9,15H,3-8H2,(H2,16,17,20)
InChIKeyNVYNSKHTQGKWRT-UHFFFAOYSA-N
XLogP0.33
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
1-(4-bromo-3-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264457
1-(3-chloro-4-fluorophenyl)-3-piperazin-1-ylpropan-1-one
CID 96667810
4-methyl-6-(3-piperazin-1-ylpropanoyl)-1,4-benzoxazin-3-one
CID 82095735
1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one
CID 59200501
1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one
CID 94724130
1-(4-fluoro-3-nitrophenyl)-3-piperazin-1-ylpropan-1-one
CID 82136464
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899
5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338635
5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 18002813
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one
CID 82136459
1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064900

Frequently Asked Questions

What is the IUPAC name of 5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one (CID 96680051) is 5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one is O=C(CCN1CCNCC1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NVYNSKHTQGKWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-13(3-6-18-7-4-15-5-8-18)10-1-2-11-12(9-10)17-14(20)16-11/h1-2,9,15H,3-8H2,(H2,16,17,20).
What are the key properties of 5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one?
5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 274.32 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 96680051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).