2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile

C11H8IN3 — CID 82561718

IUPAC2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile
SMILESN#CCn1ccnc1-c1ccccc1I
InChIInChI=1S/C11H8IN3/c12-10-4-2-1-3-9(10)11-14-6-8-15(11)7-5-13/h1-4,6,8H,7H2
InChIKeyFAFWJAHKYVJGPJ-UHFFFAOYSA-N
MW309.11 g/mol
LogP2.68
Rot. Bonds2

About 2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile

2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile (PubChem CID 82561718) has the molecular formula C11H8IN3 and a molecular weight of 309.11 g/mol. Its IUPAC name is 2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile
PubChem CID82561718
Molecular FormulaC11H8IN3
Molecular Weight309.11 g/mol
Exact Mass308.98
IUPAC Name2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile
SMILESN#CCn1ccnc1-c1ccccc1I
InChIInChI=1S/C11H8IN3/c12-10-4-2-1-3-9(10)11-14-6-8-15(11)7-5-13/h1-4,6,8H,7H2
InChIKeyFAFWJAHKYVJGPJ-UHFFFAOYSA-N
XLogP2.68
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylimidazol-1-yl)acetonitrile
CID 58743635
4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol
CID 82560831
2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile
CID 82561742
2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile
CID 82561680
2-(2-tert-butylimidazol-1-yl)acetonitrile
CID 82561565
2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile
CID 82561469
2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile
CID 130571123
1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780
2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile
CID 82561735
2-(1-benzylimidazol-2-yl)acetonitrile;ethane
CID 144979693
methyl-bis[3-(trifluoromethyl)phenyl]borane;2-(2-phenylimidazol-1-yl)acetonitrile
CID 88515272
2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile
CID 56873300

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile (CID 82561718) is 2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile is N#CCn1ccnc1-c1ccccc1I.
What is the InChIKey of 2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile?
The InChIKey is FAFWJAHKYVJGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN3/c12-10-4-2-1-3-9(10)11-14-6-8-15(11)7-5-13/h1-4,6,8H,7H2.
What are the key properties of 2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile?
2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile has a molecular weight of 309.11 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile is sourced from PubChem (CID 82561718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).