5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one

C17H22N4O3 — CID 110400181

IUPAC5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCCCCC(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C17H22N4O3/c1-2-3-4-15(22)20-7-9-21(10-8-20)16(23)12-5-6-13-14(11-12)19-17(24)18-13/h5-6,11H,2-4,7-10H2,1H3,(H2,18,19,24)
InChIKeyPKAFPWZCZQLAED-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.33
Rot. Bonds4

About 5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one

5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 110400181) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID110400181
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCCCCC(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C17H22N4O3/c1-2-3-4-15(22)20-7-9-21(10-8-20)16(23)12-5-6-13-14(11-12)19-17(24)18-13/h5-6,11H,2-4,7-10H2,1H3,(H2,18,19,24)
InChIKeyPKAFPWZCZQLAED-UHFFFAOYSA-N
XLogP1.33
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110400185
5-[4-[2-(1H-pyrrol-2-yl)acetyl]piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110815753
5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110400197
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
5-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110815622
5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
6-(4-butanoylpiperazine-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 110400115
5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 110802098
1-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800633
4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 110400210
1-methyl-5-(4-pentanoyl-1,4-diazepane-1-carbonyl)-3H-indol-2-one
CID 110806698
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800670

Frequently Asked Questions

What is the IUPAC name of 5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 110400181) is 5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one is CCCCC(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PKAFPWZCZQLAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-3-4-15(22)20-7-9-21(10-8-20)16(23)12-5-6-13-14(11-12)19-17(24)18-13/h5-6,11H,2-4,7-10H2,1H3,(H2,18,19,24).
What are the key properties of 5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 330.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110400181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).