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

C14H20N4O — CID 82500602

IUPAC5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(Cc1ccc2[nH]c(=O)[nH]c2c1)N1CCNCC1
InChIInChI=1S/C14H20N4O/c1-10(18-6-4-15-5-7-18)8-11-2-3-12-13(9-11)17-14(19)16-12/h2-3,9-10,15H,4-8H2,1H3,(H2,16,17,19)
InChIKeyOQFRDSROAIFJAC-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.69
Rot. Bonds3

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

5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 82500602) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID82500602
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(Cc1ccc2[nH]c(=O)[nH]c2c1)N1CCNCC1
InChIInChI=1S/C14H20N4O/c1-10(18-6-4-15-5-7-18)8-11-2-3-12-13(9-11)17-14(19)16-12/h2-3,9-10,15H,4-8H2,1H3,(H2,16,17,19)
InChIKeyOQFRDSROAIFJAC-UHFFFAOYSA-N
XLogP0.69
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(1,4-diazepan-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 82500606
4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 82255594
1-[1-(3-bromophenyl)propan-2-yl]piperazine
CID 82024249
5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115230015
2-methoxy-5-(2-piperazin-1-ylpropyl)phenol
CID 82024247
5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928064
2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole
CID 82500389
5-(2-piperazin-1-ylpropyl)-2-propoxyaniline
CID 82256278
1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine
CID 82255626
5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745192
1-[1-(4-fluorophenyl)propan-2-yl]-1,5-diazocane
CID 62992839
5-[4-[(2S)-2-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 124571200

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one (CID 82500602) is 5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one is CC(Cc1ccc2[nH]c(=O)[nH]c2c1)N1CCNCC1.
What is the InChIKey of 5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OQFRDSROAIFJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(18-6-4-15-5-7-18)8-11-2-3-12-13(9-11)17-14(19)16-12/h2-3,9-10,15H,4-8H2,1H3,(H2,16,17,19).
What are the key properties of 5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one?
5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 260.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 82500602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).