1-phenyl-4,5-dihydroimidazol-2-amine;tungsten

C9H10N3W- — CID 58914499

IUPAC1-phenyl-4,5-dihydroimidazol-2-amine;tungsten
SMILESNC1=NCCN1c1cc[c-]cc1.[W]
InChIInChI=1S/C9H10N3.W/c10-9-11-6-7-12(9)8-4-2-1-3-5-8;/h2-5H,6-7H2,(H2,10,11);/q-1;
InChIKeyOTYAJMSUJGLULQ-UHFFFAOYSA-N
MW344.04 g/mol
LogP0.62
Rot. Bonds1

About 1-phenyl-4,5-dihydroimidazol-2-amine;tungsten

1-phenyl-4,5-dihydroimidazol-2-amine;tungsten (PubChem CID 58914499) has the molecular formula C9H10N3W- and a molecular weight of 344.04 g/mol. Its IUPAC name is 1-phenyl-4,5-dihydroimidazol-2-amine;tungsten.

Molecular Properties

Compound Name1-phenyl-4,5-dihydroimidazol-2-amine;tungsten
PubChem CID58914499
Molecular FormulaC9H10N3W-
Molecular Weight344.04 g/mol
Exact Mass344.04
IUPAC Name1-phenyl-4,5-dihydroimidazol-2-amine;tungsten
SMILESNC1=NCCN1c1cc[c-]cc1.[W]
InChIInChI=1S/C9H10N3.W/c10-9-11-6-7-12(9)8-4-2-1-3-5-8;/h2-5H,6-7H2,(H2,10,11);/q-1;
InChIKeyOTYAJMSUJGLULQ-UHFFFAOYSA-N
XLogP0.62
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.04
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4H-benzimidazol-4-id-2-amine;yttrium
CID 58110868
2-Bromo-1-phenyl-4,5-dihydroimidazole;tungsten
CID 58914527
4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide
CID 89170048
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine
CID 126687470
1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine
CID 126702180
1-[(3E)-hexa-1,3,5-trien-3-yl]-4,5-dihydroimidazole
CID 142936856
ethene;(5E)-5-ethylidene-1-methyl-4-methylideneimidazol-2-amine
CID 144010326
(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine
CID 169248178
(4E)-1-ethyl-5-methylidene-4-prop-2-enylideneimidazol-2-amine
CID 173595422

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4,5-dihydroimidazol-2-amine;tungsten?
The IUPAC name of 1-phenyl-4,5-dihydroimidazol-2-amine;tungsten (CID 58914499) is 1-phenyl-4,5-dihydroimidazol-2-amine;tungsten.
What is the SMILES notation for 1-phenyl-4,5-dihydroimidazol-2-amine;tungsten?
The canonical SMILES for 1-phenyl-4,5-dihydroimidazol-2-amine;tungsten is NC1=NCCN1c1cc[c-]cc1.[W].
What is the InChIKey of 1-phenyl-4,5-dihydroimidazol-2-amine;tungsten?
The InChIKey is OTYAJMSUJGLULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N3.W/c10-9-11-6-7-12(9)8-4-2-1-3-5-8;/h2-5H,6-7H2,(H2,10,11);/q-1;.
What are the key properties of 1-phenyl-4,5-dihydroimidazol-2-amine;tungsten?
1-phenyl-4,5-dihydroimidazol-2-amine;tungsten has a molecular weight of 344.04 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4,5-dihydroimidazol-2-amine;tungsten is sourced from PubChem (CID 58914499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).