4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine

C116H294N20O — CID 160643229

IUPAC4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C1=CNC=CC1.C1=NCCN1.C1CCNC1.C1CCNCC1.C1CNCCN1.C1CNCN1.C1COCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCCC1.CN1CCN(C)CC1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C6H14N2.C6H13N.C5H11N.C5H7N.C5H5N.C4H10N2.3C4H4N2.C4H9NO.C4H9N.C3H8N2.C3H6N2.23C2H6.13CH4/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-3-6-4-2-5-1;1-2-4-5-3-1;2*1-2-5-3-4-1;23*1-2;;;;;;;;;;;;;/h3-6H2,1-2H3;2-6H2,1H3;6H,1-5H2;2-6H,1H2;1-5H;5-6H,1-4H2;3*1-4H;5H,1-4H2;5H,1-4H2;4-5H,1-3H2;3H,1-2H2,(H,4,5);23*1-2H3;13*1H4
InChIKeyRJLLXXIPRJLPFY-UHFFFAOYSA-N
MW1985.77 g/mol
LogP35.03
Rot. Bonds

About 4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine

4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine (PubChem CID 160643229) has the molecular formula C116H294N20O and a molecular weight of 1985.77 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine
PubChem CID160643229
Molecular FormulaC116H294N20O
Molecular Weight1985.77 g/mol
Exact Mass1984.36
IUPAC Name4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C1=CNC=CC1.C1=NCCN1.C1CCNC1.C1CCNCC1.C1CNCCN1.C1CNCN1.C1COCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCCC1.CN1CCN(C)CC1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C6H14N2.C6H13N.C5H11N.C5H7N.C5H5N.C4H10N2.3C4H4N2.C4H9NO.C4H9N.C3H8N2.C3H6N2.23C2H6.13CH4/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-3-6-4-2-5-1;1-2-4-5-3-1;2*1-2-5-3-4-1;23*1-2;;;;;;;;;;;;;/h3-6H2,1-2H3;2-6H2,1H3;6H,1-5H2;2-6H,1H2;1-5H;5-6H,1-4H2;3*1-4H;5H,1-4H2;5H,1-4H2;4-5H,1-3H2;3H,1-2H2,(H,4,5);23*1-2H3;13*1H4
InChIKeyRJLLXXIPRJLPFY-UHFFFAOYSA-N
XLogP35.03
TPSA229.81 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001985.77
LogP ≤ 535.03
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine?
The IUPAC name of 4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine (CID 160643229) is 4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine?
The canonical SMILES for 4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine is C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CNC=CC1.C1=NCCN1.C1CCNC1.C1CCNCC1.C1CNCCN1.C1CNCN1.C1COCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCCC1.CN1CCN(C)CC1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.
What is the InChIKey of 4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine?
The InChIKey is RJLLXXIPRJLPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H13N.C5H11N.C5H7N.C5H5N.C4H10N2.3C4H4N2.C4H9NO.C4H9N.C3H8N2.C3H6N2.23C2H6.13CH4/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-3-6-4-2-5-1;1-2-4-5-3-1;2*1-2-5-3-4-1;23*1-2;;;;;;;;;;;;;/h3-6H2,1-2H3;2-6H2,1H3;6H,1-5H2;2-6H,1H2;1-5H;5-6H,1-4H2;3*1-4H;5H,1-4H2;5H,1-4H2;4-5H,1-3H2;3H,1-2H2,(H,4,5);23*1-2H3;13*1H4.
What are the key properties of 4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine?
4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine has a molecular weight of 1985.77 g/mol, XLogP of 35.03, 0 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine is sourced from PubChem (CID 160643229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).