2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile

C7H4BrN5 — CID 23199634

IUPAC2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile
SMILESN#Cc1cnc(-c2ncc(Br)[nH]2)[nH]1
InChIInChI=1S/C7H4BrN5/c8-5-3-11-7(13-5)6-10-2-4(1-9)12-6/h2-3H,(H,10,12)(H,11,13)
InChIKeyRUPDTFDCZLUFOY-UHFFFAOYSA-N
MW238.05 g/mol
LogP1.43
Rot. Bonds1

About 2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile

2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile (PubChem CID 23199634) has the molecular formula C7H4BrN5 and a molecular weight of 238.05 g/mol. Its IUPAC name is 2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile
PubChem CID23199634
Molecular FormulaC7H4BrN5
Molecular Weight238.05 g/mol
Exact Mass236.97
IUPAC Name2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile
SMILESN#Cc1cnc(-c2ncc(Br)[nH]2)[nH]1
InChIInChI=1S/C7H4BrN5/c8-5-3-11-7(13-5)6-10-2-4(1-9)12-6/h2-3H,(H,10,12)(H,11,13)
InChIKeyRUPDTFDCZLUFOY-UHFFFAOYSA-N
XLogP1.43
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.05
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-1H-imidazol-2-yl)acetonitrile
CID 23151625
4-methyl-1H-imidazole-2-carbonitrile
CID 571736
4-Trifluoromethyl-2,2'-bi[1H-imidazole]
CID 13663747
2-(1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile
CID 13663754
2-(1H-imidazol-2-yl)-3-methylimidazole-4-carbonitrile
CID 19877956
4-bromo-4'-(trifluoromethyl)-2,2'-bi-1H-imidazole
CID 23199633
2-(1H-imidazol-2-yl)-5-methyl-1H-imidazole
CID 44339795
2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-imidazole-5-carbonitrile
CID 44339864
2-(1H-imidazol-5-yl)-1H-imidazole-5-carbonitrile
CID 44339902
2-(1H-imidazol-2-yl)-1-methylimidazole-4-carbonitrile
CID 135708785
4-Cyano-2-methyl-1H-imidazole
CID 14517197
2-(1-methylimidazol-2-yl)-1H-imidazole-5-carbonitrile
CID 13663755

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile?
The IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile (CID 23199634) is 2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile.
What is the SMILES notation for 2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile?
The canonical SMILES for 2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile is N#Cc1cnc(-c2ncc(Br)[nH]2)[nH]1.
What is the InChIKey of 2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile?
The InChIKey is RUPDTFDCZLUFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN5/c8-5-3-11-7(13-5)6-10-2-4(1-9)12-6/h2-3H,(H,10,12)(H,11,13).
What are the key properties of 2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile?
2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile has a molecular weight of 238.05 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile is sourced from PubChem (CID 23199634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).