N-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+)

C16H12N4U — CID 163902699

IUPACN-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+)
SMILES[H]/[C-]=N/c1[c-]cc(C(c2ccccn2)c2cnc[nH]2)cc1.[U+2]
InChIInChI=1S/C16H12N4.U/c1-17-13-7-5-12(6-8-13)16(15-10-18-11-20-15)14-4-2-3-9-19-14;/h1-7,9-11,16H,(H,18,20);/q-2;+2
InChIKeyOOJICFNJEZWTNT-UHFFFAOYSA-N
MW498.33 g/mol
LogP2.99
Rot. Bonds4

About N-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+)

N-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+) (PubChem CID 163902699) has the molecular formula C16H12N4U and a molecular weight of 498.33 g/mol. Its IUPAC name is N-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+).

Molecular Properties

Compound NameN-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+)
PubChem CID163902699
Molecular FormulaC16H12N4U
Molecular Weight498.33 g/mol
Exact Mass498.16
IUPAC NameN-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+)
SMILES[H]/[C-]=N/c1[c-]cc(C(c2ccccn2)c2cnc[nH]2)cc1.[U+2]
InChIInChI=1S/C16H12N4.U/c1-17-13-7-5-12(6-8-13)16(15-10-18-11-20-15)14-4-2-3-9-19-14;/h1-7,9-11,16H,(H,18,20);/q-2;+2
InChIKeyOOJICFNJEZWTNT-UHFFFAOYSA-N
XLogP2.99
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine
CID 25121753
8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline
CID 59419672
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-1H-imidazole
CID 70163834
8-[1H-imidazol-5-yl(phenyl)methyl]quinoline
CID 25122151
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
5-[bis(2-methylphenyl)methyl]-1H-imidazole
CID 13071795
2-[bis(1H-imidazol-2-yl)methyl]pyridine
CID 121008587
3-[1H-imidazol-5-yl(phenyl)methyl]benzenethiol
CID 143835490
4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
CID 71113745
ethane;2-(1H-imidazol-5-yl)pyridine
CID 144804371
ethane;5-(1-phenylethyl)-1H-imidazole
CID 123176556

Frequently Asked Questions

What is the IUPAC name of N-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+)?
The IUPAC name of N-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+) (CID 163902699) is N-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+).
What is the SMILES notation for N-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+)?
The canonical SMILES for N-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+) is [H]/[C-]=N/c1[c-]cc(C(c2ccccn2)c2cnc[nH]2)cc1.[U+2].
What is the InChIKey of N-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+)?
The InChIKey is OOJICFNJEZWTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4.U/c1-17-13-7-5-12(6-8-13)16(15-10-18-11-20-15)14-4-2-3-9-19-14;/h1-7,9-11,16H,(H,18,20);/q-2;+2.
What are the key properties of N-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+)?
N-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+) has a molecular weight of 498.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+) is sourced from PubChem (CID 163902699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).