4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one

C17H22N4O — CID 67718020

IUPAC4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one
SMILESO=C1N=c2cccc(C3CCC(N4CCNCC4)CC3)c2=N1
InChIInChI=1S/C17H22N4O/c22-17-19-15-3-1-2-14(16(15)20-17)12-4-6-13(7-5-12)21-10-8-18-9-11-21/h1-3,12-13,18H,4-11H2
InChIKeyNQBLTVINBHZOJO-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.99
Rot. Bonds2

About 4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one

4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one (PubChem CID 67718020) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one.

Molecular Properties

Compound Name4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one
PubChem CID67718020
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one
SMILESO=C1N=c2cccc(C3CCC(N4CCNCC4)CC3)c2=N1
InChIInChI=1S/C17H22N4O/c22-17-19-15-3-1-2-14(16(15)20-17)12-4-6-13(7-5-12)21-10-8-18-9-11-21/h1-3,12-13,18H,4-11H2
InChIKeyNQBLTVINBHZOJO-UHFFFAOYSA-N
XLogP0.99
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one?
The IUPAC name of 4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one (CID 67718020) is 4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one.
What is the SMILES notation for 4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one?
The canonical SMILES for 4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one is O=C1N=c2cccc(C3CCC(N4CCNCC4)CC3)c2=N1.
What is the InChIKey of 4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one?
The InChIKey is NQBLTVINBHZOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17-19-15-3-1-2-14(16(15)20-17)12-4-6-13(7-5-12)21-10-8-18-9-11-21/h1-3,12-13,18H,4-11H2.
What are the key properties of 4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one?
4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one has a molecular weight of 298.39 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperazin-1-ylcyclohexyl)benzimidazol-2-one is sourced from PubChem (CID 67718020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).