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

C108H243N21S — CID 159698049

IUPAC4,5-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
SMILESC1=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.CC.CC.CC.CN1CCCCC1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1
InChIInChI=1S/C6H13N.C5H5N.3C4H4N2.2C4H7N.C4H5N.C4H4S.C3H8N2.C3H6N2.C3H4N2.C3H6N2.C3H4N2.27C2H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;3*1-2-5-3-4-1;2*1-2-4-5-3-1;27*1-2/h2-6H2,1H3;1-5H;3*1-4H;1,3,5H,2,4H2;1-2,5H,3-4H2;1-5H;1-4H;4-5H,1-3H2;3H,1-2H2,(H,4,5);1-3H,(H,4,5);2,5H,1,3H2;1-3H,(H,4,5);27*1-2H3
InChIKeyMXGNILQYAQANEL-UHFFFAOYSA-N
MW1868.35 g/mol
LogP34.26
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;1-methylpiperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene

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 (PubChem CID 159698049) has the molecular formula C108H243N21S and a molecular weight of 1868.35 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;1-methylpiperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene.

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;1-methylpiperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene
PubChem CID159698049
Molecular FormulaC108H243N21S
Molecular Weight1868.35 g/mol
Exact Mass1866.94
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;1-methylpiperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene
SMILESC1=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.CC.CC.CC.CN1CCCCC1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1
InChIInChI=1S/C6H13N.C5H5N.3C4H4N2.2C4H7N.C4H5N.C4H4S.C3H8N2.C3H6N2.C3H4N2.C3H6N2.C3H4N2.27C2H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;3*1-2-5-3-4-1;2*1-2-4-5-3-1;27*1-2/h2-6H2,1H3;1-5H;3*1-4H;1,3,5H,2,4H2;1-2,5H,3-4H2;1-5H;1-4H;4-5H,1-3H2;3H,1-2H2,(H,4,5);1-3H,(H,4,5);2,5H,1,3H2;1-3H,(H,4,5);27*1-2H3
InChIKeyMXGNILQYAQANEL-UHFFFAOYSA-N
XLogP34.26
TPSA263.52 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001868.35
LogP ≤ 534.26
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

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;1-methylpiperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene 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;methane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole
CID 157449686
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
1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine
CID 174886577
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
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
1H-benzimidazole;furan;bis(1H-imidazole);bis(1,3-oxazole);1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene
CID 158122007
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-pyrazole;pyridine;thiophene
CID 158592325
furan;1H-imidazole;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157308323
benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)
CID 160929038

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;1-methylpiperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene?
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;1-methylpiperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene (CID 159698049) 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;1-methylpiperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene.
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;1-methylpiperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene?
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;1-methylpiperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene is 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.CC.CC.CC.CN1CCCCC1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccsc1.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;1-methylpiperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene?
The InChIKey is MXGNILQYAQANEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H5N.3C4H4N2.2C4H7N.C4H5N.C4H4S.C3H8N2.C3H6N2.C3H4N2.C3H6N2.C3H4N2.27C2H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;3*1-2-5-3-4-1;2*1-2-4-5-3-1;27*1-2/h2-6H2,1H3;1-5H;3*1-4H;1,3,5H,2,4H2;1-2,5H,3-4H2;1-5H;1-4H;4-5H,1-3H2;3H,1-2H2,(H,4,5);1-3H,(H,4,5);2,5H,1,3H2;1-3H,(H,4,5);27*1-2H3.
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;1-methylpiperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene?
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 has a molecular weight of 1868.35 g/mol, XLogP of 34.26, 0 rotatable bonds, 9 hydrogen bond donors, and 19 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;1-methylpiperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene is sourced from PubChem (CID 159698049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).