2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile

C9H6BrN3S — CID 116834593

IUPAC2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile
SMILESN#CC(c1ncc[nH]1)c1cc(Br)cs1
InChIInChI=1S/C9H6BrN3S/c10-6-3-8(14-5-6)7(4-11)9-12-1-2-13-9/h1-3,5,7H,(H,12,13)
InChIKeyRJQIGGOPGQQWEP-UHFFFAOYSA-N
MW268.14 g/mol
LogP2.89
Rot. Bonds2

About 2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile

2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile (PubChem CID 116834593) has the molecular formula C9H6BrN3S and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile
PubChem CID116834593
Molecular FormulaC9H6BrN3S
Molecular Weight268.14 g/mol
Exact Mass266.95
IUPAC Name2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile
SMILESN#CC(c1ncc[nH]1)c1cc(Br)cs1
InChIInChI=1S/C9H6BrN3S/c10-6-3-8(14-5-6)7(4-11)9-12-1-2-13-9/h1-3,5,7H,(H,12,13)
InChIKeyRJQIGGOPGQQWEP-UHFFFAOYSA-N
XLogP2.89
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile
CID 116834553
2-(1-benzothiophen-3-yl)-2-(1H-imidazol-2-yl)acetonitrile
CID 116834644
2-(4-tert-butyl-2-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile
CID 116834609
2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile
CID 116834529
2-(4-bromothiophen-2-yl)-3-methylbutanenitrile
CID 116964631
2-(1-benzofuran-3-yl)-2-(1H-imidazol-2-yl)acetonitrile
CID 116834643
2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile
CID 116834549
2-(1H-imidazol-2-yl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetonitrile
CID 116834598
2-[amino-(4-bromothiophen-2-yl)methyl]-3-methylbutanenitrile
CID 116946358
2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile
CID 57070598
(5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine
CID 116835147
2-(4-bromothiophen-2-yl)-2-(propylamino)acetonitrile
CID 61345805

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile (CID 116834593) is 2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile is N#CC(c1ncc[nH]1)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile?
The InChIKey is RJQIGGOPGQQWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3S/c10-6-3-8(14-5-6)7(4-11)9-12-1-2-13-9/h1-3,5,7H,(H,12,13).
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile?
2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile has a molecular weight of 268.14 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile is sourced from PubChem (CID 116834593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).