1H-imidazole;piperazine;pyridine;urea

C13H23N7O — CID 175076318

IUPAC1H-imidazole;piperazine;pyridine;urea
SMILESC1CNCCN1.NC(N)=O.c1c[nH]cn1.c1ccncc1
InChIInChI=1S/C5H5N.C4H10N2.C3H4N2.CH4N2O/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-3-4-1;2-1(3)4/h1-5H;5-6H,1-4H2;1-3H,(H,4,5);(H4,2,3,4)
InChIKeyFZUDYUBOCRTAFI-UHFFFAOYSA-N
MW293.38 g/mol
LogP-0.31
Rot. Bonds

About 1H-imidazole;piperazine;pyridine;urea

1H-imidazole;piperazine;pyridine;urea (PubChem CID 175076318) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 1H-imidazole;piperazine;pyridine;urea.

Molecular Properties

Compound Name1H-imidazole;piperazine;pyridine;urea
PubChem CID175076318
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name1H-imidazole;piperazine;pyridine;urea
SMILESC1CNCCN1.NC(N)=O.c1c[nH]cn1.c1ccncc1
InChIInChI=1S/C5H5N.C4H10N2.C3H4N2.CH4N2O/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-3-4-1;2-1(3)4/h1-5H;5-6H,1-4H2;1-3H,(H,4,5);(H4,2,3,4)
InChIKeyFZUDYUBOCRTAFI-UHFFFAOYSA-N
XLogP-0.31
TPSA134.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;piperazine;pyridine;urea?
The IUPAC name of 1H-imidazole;piperazine;pyridine;urea (CID 175076318) is 1H-imidazole;piperazine;pyridine;urea.
What is the SMILES notation for 1H-imidazole;piperazine;pyridine;urea?
The canonical SMILES for 1H-imidazole;piperazine;pyridine;urea is C1CNCCN1.NC(N)=O.c1c[nH]cn1.c1ccncc1.
What is the InChIKey of 1H-imidazole;piperazine;pyridine;urea?
The InChIKey is FZUDYUBOCRTAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H10N2.C3H4N2.CH4N2O/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-3-4-1;2-1(3)4/h1-5H;5-6H,1-4H2;1-3H,(H,4,5);(H4,2,3,4).
What are the key properties of 1H-imidazole;piperazine;pyridine;urea?
1H-imidazole;piperazine;pyridine;urea has a molecular weight of 293.38 g/mol, XLogP of -0.31, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;piperazine;pyridine;urea is sourced from PubChem (CID 175076318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).