4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole

C104H256N20 — CID 157449686

IUPAC4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C1=CCNC1.C1=CNCC1.C1=NCCN1.C1=NNCC1.C1CNCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cnccn1.c1cncnc1
InChIInChI=1S/C5H5N.3C4H4N2.2C4H7N.C4H5N.C3H8N2.C3H6N2.C3H4N2.C3H6N2.C3H4N2.24C2H6.12CH4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;3*1-2-5-3-4-1;2*1-2-4-5-3-1;24*1-2;;;;;;;;;;;;/h1-5H;3*1-4H;1,3,5H,2,4H2;1-2,5H,3-4H2;1-5H;4-5H,1-3H2;3H,1-2H2,(H,4,5);1-3H,(H,4,5);2,5H,1,3H2;1-3H,(H,4,5);24*1-2H3;12*1H4
InChIKeyBSQOXSXVDLFLAV-UHFFFAOYSA-N
MW1787.33 g/mol
LogP35.97
Rot. Bonds

About 4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole

4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole (PubChem CID 157449686) has the molecular formula C104H256N20 and a molecular weight of 1787.33 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole
PubChem CID157449686
Molecular FormulaC104H256N20
Molecular Weight1787.33 g/mol
Exact Mass1786.06
IUPAC Name4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C1=CCNC1.C1=CNCC1.C1=NCCN1.C1=NNCC1.C1CNCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cnccn1.c1cncnc1
InChIInChI=1S/C5H5N.3C4H4N2.2C4H7N.C4H5N.C3H8N2.C3H6N2.C3H4N2.C3H6N2.C3H4N2.24C2H6.12CH4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;3*1-2-5-3-4-1;2*1-2-4-5-3-1;24*1-2;;;;;;;;;;;;/h1-5H;3*1-4H;1,3,5H,2,4H2;1-2,5H,3-4H2;1-5H;4-5H,1-3H2;3H,1-2H2,(H,4,5);1-3H,(H,4,5);2,5H,1,3H2;1-3H,(H,4,5);24*1-2H3;12*1H4
InChIKeyBSQOXSXVDLFLAV-UHFFFAOYSA-N
XLogP35.97
TPSA260.28 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001787.33
LogP ≤ 535.97
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole with MolForge

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Related Compounds

4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;1-methylpiperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene
CID 159698049
1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine
CID 174886577
4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine
CID 159311212
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
benzene;ethane;1H-imidazole;2H-imidazole;decakis(2-methylpropane);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,2,4-triazine;1H-1,2,4-triazole
CID 159596098
1H-imidazole;1H-pyrazole
CID 22923667
furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole)
CID 158704713
benzene;ethane;1H-imidazole;dodecakis(2-methylpropane);1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,2,4-triazine;1H-1,2,4-triazole;2H-triazole
CID 160781897
1H-imidazole;methane;1H-pyrazole;1H-pyrrole;bis(1H-1,2,4-triazole);2H-triazole
CID 160932307
1H-benzimidazole;furan;bis(1H-imidazole);bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene
CID 158137470
benzene;furan;1H-imidazole;tetradecakis(2-methylpropane);1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1H-pyrrole);1,3-thiazole;thiophene
CID 167560901
benzene;1H-imidazole;piperazine
CID 174316077

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole?
The IUPAC name of 4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole (CID 157449686) is 4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole?
The canonical SMILES for 4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole is C.C.C.C.C.C.C.C.C.C.C.C.C1=CCNC1.C1=CNCC1.C1=NCCN1.C1=NNCC1.C1CNCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.
What is the InChIKey of 4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole?
The InChIKey is BSQOXSXVDLFLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H4N2.2C4H7N.C4H5N.C3H8N2.C3H6N2.C3H4N2.C3H6N2.C3H4N2.24C2H6.12CH4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;3*1-2-5-3-4-1;2*1-2-4-5-3-1;24*1-2;;;;;;;;;;;;/h1-5H;3*1-4H;1,3,5H,2,4H2;1-2,5H,3-4H2;1-5H;4-5H,1-3H2;3H,1-2H2,(H,4,5);1-3H,(H,4,5);2,5H,1,3H2;1-3H,(H,4,5);24*1-2H3;12*1H4.
What are the key properties of 4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole?
4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole has a molecular weight of 1787.33 g/mol, XLogP of 35.97, 0 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole is sourced from PubChem (CID 157449686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).