methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane

C15H13IN2 — CID 143045069

IUPACmethylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane
SMILESC=ICc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H13IN2/c1-16-10-11-7-8-13-14(9-11)18-15(17-13)12-5-3-2-4-6-12/h2-9H,1,10H2,(H,17,18)
InChIKeyAWIIEGGGXMMHQG-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.13
Rot. Bonds3

About methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane

methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane (PubChem CID 143045069) has the molecular formula C15H13IN2 and a molecular weight of 348.19 g/mol. Its IUPAC name is methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane.

Molecular Properties

Compound Namemethylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane
PubChem CID143045069
Molecular FormulaC15H13IN2
Molecular Weight348.19 g/mol
Exact Mass348.01
IUPAC Namemethylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane
SMILESC=ICc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H13IN2/c1-16-10-11-7-8-13-14(9-11)18-15(17-13)12-5-3-2-4-6-12/h2-9H,1,10H2,(H,17,18)
InChIKeyAWIIEGGGXMMHQG-UHFFFAOYSA-N
XLogP4.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride
CID 14518404
2-phenyl-3H-benzimidazole-5-thiol
CID 57216404
2-phenyl-1H-benzo[f]benzimidazole
CID 13074514
N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide
CID 110773431
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
3-(6-ethyl-1H-benzimidazol-2-yl)aniline
CID 80502947
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine
CID 123138623
N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide
CID 53131415

Frequently Asked Questions

What is the IUPAC name of methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane?
The IUPAC name of methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane (CID 143045069) is methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane.
What is the SMILES notation for methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane?
The canonical SMILES for methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane is C=ICc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane?
The InChIKey is AWIIEGGGXMMHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2/c1-16-10-11-7-8-13-14(9-11)18-15(17-13)12-5-3-2-4-6-12/h2-9H,1,10H2,(H,17,18).
What are the key properties of methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane?
methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane has a molecular weight of 348.19 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane is sourced from PubChem (CID 143045069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).