4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;1H-pyrazole;1H-pyrrole

C59H143N13 — CID 159616117

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;1H-pyrazole;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;1H-pyrazole;1H-pyrrole (PubChem CID 159616117) has the molecular formula C59H143N13 and a molecular weight of 1034.88 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;1H-pyrazole;1H-pyrrole.

Molecular Properties

• Compound Name: 4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;1H-pyrazole;1H-pyrrole
• PubChem CID: 159616117
• Molecular Formula: C59H143N13
• Molecular Weight: 1034.88 g/mol
• Exact Mass: 1034.16
• IUPAC Name: 4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;1H-pyrazole;1H-pyrrole
• SMILES: 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.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1
• InChI: InChI=1S/2C4H7N.C4H5N.C3H8N2.C3H6N2.C3H4N2.C3H6N2.C3H4N2.16C2H6/c3*1-2-4-5-3-1;3*1-2-5-3-4-1;2*1-2-4-5-3-1;16*1-2/h1,3,5H,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);16*1-2H3
• InChIKey: MNHQLRHSQBJGIJ-UHFFFAOYSA-N
• XLogP: 17.61
• TPSA: 170.05 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1034.88
LogP ≤ 5	17.61
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

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;1H-pyrazole;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;1H-pyrazole;1H-pyrrole (CID 159616117) 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;1H-pyrazole;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;1H-pyrazole;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;1H-pyrazole;1H-pyrrole 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.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.

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;1H-pyrazole;1H-pyrrole?

The InChIKey is MNHQLRHSQBJGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7N.C4H5N.C3H8N2.C3H6N2.C3H4N2.C3H6N2.C3H4N2.16C2H6/c3*1-2-4-5-3-1;3*1-2-5-3-4-1;2*1-2-4-5-3-1;16*1-2/h1,3,5H,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);16*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;1H-pyrazole;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;1H-pyrazole;1H-pyrrole has a molecular weight of 1034.88 g/mol, XLogP of 17.61, 0 rotatable bonds, 9 hydrogen bond donors, and 10 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;1H-pyrazole;1H-pyrrole is sourced from PubChem (CID 159616117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).