2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile

C11H8BrN3 — CID 82380050

IUPAC2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile
SMILESN#CCc1cnc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C11H8BrN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4H2,(H,14,15)
InChIKeyDLLOVMUMEGGEFY-UHFFFAOYSA-N
MW262.11 g/mol
LogP2.91
Rot. Bonds2

About 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile

2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile (PubChem CID 82380050) has the molecular formula C11H8BrN3 and a molecular weight of 262.11 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile
PubChem CID82380050
Molecular FormulaC11H8BrN3
Molecular Weight262.11 g/mol
Exact Mass260.99
IUPAC Name2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile
SMILESN#CCc1cnc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C11H8BrN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4H2,(H,14,15)
InChIKeyDLLOVMUMEGGEFY-UHFFFAOYSA-N
XLogP2.91
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile (CID 82380050) is 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile is N#CCc1cnc(-c2cccc(Br)c2)[nH]1.
What is the InChIKey of 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile?
The InChIKey is DLLOVMUMEGGEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4H2,(H,14,15).
What are the key properties of 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile?
2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile has a molecular weight of 262.11 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile is sourced from PubChem (CID 82380050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).