benzene;1H-imidazole;piperazine

C13H20N4 — CID 174316077

IUPACbenzene;1H-imidazole;piperazine
SMILESC1CNCCN1.c1c[nH]cn1.c1ccccc1
InChIInChI=1S/C6H6.C4H10N2.C3H4N2/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-3-4-1/h1-6H;5-6H,1-4H2;1-3H,(H,4,5)
InChIKeySZRTWJFJNFRCEQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.28
Rot. Bonds

About benzene;1H-imidazole;piperazine

benzene;1H-imidazole;piperazine (PubChem CID 174316077) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is benzene;1H-imidazole;piperazine.

Molecular Properties

Compound Namebenzene;1H-imidazole;piperazine
PubChem CID174316077
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Namebenzene;1H-imidazole;piperazine
SMILESC1CNCCN1.c1c[nH]cn1.c1ccccc1
InChIInChI=1S/C6H6.C4H10N2.C3H4N2/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-3-4-1/h1-6H;5-6H,1-4H2;1-3H,(H,4,5)
InChIKeySZRTWJFJNFRCEQ-UHFFFAOYSA-N
XLogP1.28
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;1H-imidazole;piperazine?
The IUPAC name of benzene;1H-imidazole;piperazine (CID 174316077) is benzene;1H-imidazole;piperazine.
What is the SMILES notation for benzene;1H-imidazole;piperazine?
The canonical SMILES for benzene;1H-imidazole;piperazine is C1CNCCN1.c1c[nH]cn1.c1ccccc1.
What is the InChIKey of benzene;1H-imidazole;piperazine?
The InChIKey is SZRTWJFJNFRCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H10N2.C3H4N2/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-3-4-1/h1-6H;5-6H,1-4H2;1-3H,(H,4,5).
What are the key properties of benzene;1H-imidazole;piperazine?
benzene;1H-imidazole;piperazine has a molecular weight of 232.33 g/mol, XLogP of 1.28, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1H-imidazole;piperazine is sourced from PubChem (CID 174316077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).