dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole

C22H31DbN2- — CID 159505020

IUPACdubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole
SMILESC.CC.CC.Cc1nccn1Cc1ccc(-c2[c-]cccc2)cc1.[Db]
InChIInChI=1S/C17H15N2.2C2H6.CH4.Db/c1-14-18-11-12-19(14)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16;2*1-2;;/h2-5,7-12H,13H2,1H3;2*1-2H3;1H4;/q-1;;;;
InChIKeyIUYMLHJMHATZDV-UHFFFAOYSA-N
MW591.50 g/mol
LogP6.40
Rot. Bonds3

About dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole

dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole (PubChem CID 159505020) has the molecular formula C22H31DbN2- and a molecular weight of 591.50 g/mol. Its IUPAC name is dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole.

Molecular Properties

Compound Namedubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole
PubChem CID159505020
Molecular FormulaC22H31DbN2-
Molecular Weight591.50 g/mol
Exact Mass591.37
IUPAC Namedubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole
SMILESC.CC.CC.Cc1nccn1Cc1ccc(-c2[c-]cccc2)cc1.[Db]
InChIInChI=1S/C17H15N2.2C2H6.CH4.Db/c1-14-18-11-12-19(14)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16;2*1-2;;/h2-5,7-12H,13H2,1H3;2*1-2H3;1H4;/q-1;;;;
InChIKeyIUYMLHJMHATZDV-UHFFFAOYSA-N
XLogP6.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.50
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole?
The IUPAC name of dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole (CID 159505020) is dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole.
What is the SMILES notation for dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole?
The canonical SMILES for dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole is C.CC.CC.Cc1nccn1Cc1ccc(-c2[c-]cccc2)cc1.[Db].
What is the InChIKey of dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole?
The InChIKey is IUYMLHJMHATZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N2.2C2H6.CH4.Db/c1-14-18-11-12-19(14)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16;2*1-2;;/h2-5,7-12H,13H2,1H3;2*1-2H3;1H4;/q-1;;;;.
What are the key properties of dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole?
dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole has a molecular weight of 591.50 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole is sourced from PubChem (CID 159505020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).