1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine

C24H37N9 — CID 174886577

IUPAC1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine
SMILESC1CCNC1.C1CCNCC1.c1c[nH]cn1.c1ccncc1.c1cn[nH]c1.c1cncnc1
InChIInChI=1S/C5H11N.C5H5N.C4H4N2.C4H9N.2C3H4N2/c2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h6H,1-5H2;1-5H;1-4H;5H,1-4H2;2*1-3H,(H,4,5)
InChIKeyZNJNLVUYZOAKIU-UHFFFAOYSA-N
MW451.62 g/mol
LogP3.51
Rot. Bonds

About 1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine

1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine (PubChem CID 174886577) has the molecular formula C24H37N9 and a molecular weight of 451.62 g/mol. Its IUPAC name is 1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine.

Molecular Properties

Compound Name1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine
PubChem CID174886577
Molecular FormulaC24H37N9
Molecular Weight451.62 g/mol
Exact Mass451.32
IUPAC Name1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine
SMILESC1CCNC1.C1CCNCC1.c1c[nH]cn1.c1ccncc1.c1cn[nH]c1.c1cncnc1
InChIInChI=1S/C5H11N.C5H5N.C4H4N2.C4H9N.2C3H4N2/c2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h6H,1-5H2;1-5H;1-4H;5H,1-4H2;2*1-3H,(H,4,5)
InChIKeyZNJNLVUYZOAKIU-UHFFFAOYSA-N
XLogP3.51
TPSA120.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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1H-imidazole;pyridine;hydrochloride
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CID 159596098
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pyridine;1,4,8,11-tetrazacyclotetradecane
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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine?
The IUPAC name of 1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine (CID 174886577) is 1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine.
What is the SMILES notation for 1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine?
The canonical SMILES for 1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine is C1CCNC1.C1CCNCC1.c1c[nH]cn1.c1ccncc1.c1cn[nH]c1.c1cncnc1.
What is the InChIKey of 1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine?
The InChIKey is ZNJNLVUYZOAKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H5N.C4H4N2.C4H9N.2C3H4N2/c2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h6H,1-5H2;1-5H;1-4H;5H,1-4H2;2*1-3H,(H,4,5).
What are the key properties of 1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine?
1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine has a molecular weight of 451.62 g/mol, XLogP of 3.51, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine is sourced from PubChem (CID 174886577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).