2-(2-phenylimidazol-1-yl)acetonitrile

C11H9N3 — CID 58743635

IUPAC2-(2-phenylimidazol-1-yl)acetonitrile
SMILESN#CCn1ccnc1-c1ccccc1
InChIInChI=1S/C11H9N3/c12-6-8-14-9-7-13-11(14)10-4-2-1-3-5-10/h1-5,7,9H,8H2
InChIKeyNFKNKTNPNXIKEJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.07
Rot. Bonds2

About 2-(2-phenylimidazol-1-yl)acetonitrile

2-(2-phenylimidazol-1-yl)acetonitrile (PubChem CID 58743635) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(2-phenylimidazol-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-phenylimidazol-1-yl)acetonitrile
PubChem CID58743635
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name2-(2-phenylimidazol-1-yl)acetonitrile
SMILESN#CCn1ccnc1-c1ccccc1
InChIInChI=1S/C11H9N3/c12-6-8-14-9-7-13-11(14)10-4-2-1-3-5-10/h1-5,7,9H,8H2
InChIKeyNFKNKTNPNXIKEJ-UHFFFAOYSA-N
XLogP2.07
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylimidazol-1-yl)acetonitrile?
The IUPAC name of 2-(2-phenylimidazol-1-yl)acetonitrile (CID 58743635) is 2-(2-phenylimidazol-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-phenylimidazol-1-yl)acetonitrile?
The canonical SMILES for 2-(2-phenylimidazol-1-yl)acetonitrile is N#CCn1ccnc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylimidazol-1-yl)acetonitrile?
The InChIKey is NFKNKTNPNXIKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c12-6-8-14-9-7-13-11(14)10-4-2-1-3-5-10/h1-5,7,9H,8H2.
What are the key properties of 2-(2-phenylimidazol-1-yl)acetonitrile?
2-(2-phenylimidazol-1-yl)acetonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylimidazol-1-yl)acetonitrile is sourced from PubChem (CID 58743635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).