1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole

C15H34N12O — CID 172985821

About 1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole

1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole (PubChem CID 172985821) has the molecular formula C15H34N12O and a molecular weight of 398.52 g/mol. Its IUPAC name is 1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole.

Molecular Properties

• Compound Name: 1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole
• PubChem CID: 172985821
• Molecular Formula: C15H34N12O
• Molecular Weight: 398.52 g/mol
• Exact Mass: 398.30
• IUPAC Name: 1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole
• SMILES: C/C(N)=N/O.CC1=NCCN1.CC1=NCCN1C.Cc1nn[nH]n1.[H]/N=C(\C)N
• InChI: InChI=1S/C5H10N2.C4H8N2.C2H4N4.C2H6N2O.C2H6N2/c1-5-6-3-4-7(5)2;1-4-5-2-3-6-4;1-2-3-5-6-4-2;1-2(3)4-5;1-2(3)4/h3-4H2,1-2H3;2-3H2,1H3,(H,5,6);1H3,(H,3,4,5,6);5H,1H3,(H2,3,4);1H3,(H3,3,4)
• InChIKey: KBTBNAMGYFAKEU-UHFFFAOYSA-N
• XLogP: -0.44
• TPSA: 202.93 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.52
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole?

The IUPAC name of 1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole (CID 172985821) is 1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole.

What is the SMILES notation for 1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole?

The canonical SMILES for 1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole is C/C(N)=N/O.CC1=NCCN1.CC1=NCCN1C.Cc1nn[nH]n1.[H]/N=C(\C)N.

What is the InChIKey of 1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole?

The InChIKey is KBTBNAMGYFAKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.C4H8N2.C2H4N4.C2H6N2O.C2H6N2/c1-5-6-3-4-7(5)2;1-4-5-2-3-6-4;1-2-3-5-6-4-2;1-2(3)4-5;1-2(3)4/h3-4H2,1-2H3;2-3H2,1H3,(H,5,6);1H3,(H,3,4,5,6);5H,1H3,(H2,3,4);1H3,(H3,3,4).

What are the key properties of 1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole?

1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole has a molecular weight of 398.52 g/mol, XLogP of -0.44, 0 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;N'-hydroxyethanimidamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-2H-tetrazole is sourced from PubChem (CID 172985821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).