4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one

C14H18N4O2 — CID 110701165

IUPAC4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCCN1CCN(C(=O)c2cccc3[nH]c(=O)[nH]c23)CC1
InChIInChI=1S/C14H18N4O2/c1-2-17-6-8-18(9-7-17)13(19)10-4-3-5-11-12(10)16-14(20)15-11/h3-5H,2,6-9H2,1H3,(H2,15,16,20)
InChIKeyBKGMYSGHTNNECQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.63
Rot. Bonds2

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

4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 110701165) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID110701165
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCCN1CCN(C(=O)c2cccc3[nH]c(=O)[nH]c23)CC1
InChIInChI=1S/C14H18N4O2/c1-2-17-6-8-18(9-7-17)13(19)10-4-3-5-11-12(10)16-14(20)15-11/h3-5H,2,6-9H2,1H3,(H2,15,16,20)
InChIKeyBKGMYSGHTNNECQ-UHFFFAOYSA-N
XLogP0.63
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110701217
7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide
CID 174432933
propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate
CID 22745349
3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 110692777
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 82546965
4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 138005104
4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one
CID 167988048
(4-ethylpiperazin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79884120
(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849515
7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene
CID 174432932
(4-ethylpiperazin-1-yl)-(3-methyl-2-nitrophenyl)methanone
CID 4647856

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 110701165) is 4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one is CCN1CCN(C(=O)c2cccc3[nH]c(=O)[nH]c23)CC1.
What is the InChIKey of 4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BKGMYSGHTNNECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-17-6-8-18(9-7-17)13(19)10-4-3-5-11-12(10)16-14(20)15-11/h3-5H,2,6-9H2,1H3,(H2,15,16,20).
What are the key properties of 4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 274.32 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110701165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).