1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile

C10H5BrN4O — CID 112595727

IUPAC1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(Cc2ccc(Br)o2)c1C#N
InChIInChI=1S/C10H5BrN4O/c11-10-2-1-7(16-10)5-15-6-14-8(3-12)9(15)4-13/h1-2,6H,5H2
InChIKeyLUCSTWWEVPQCEE-UHFFFAOYSA-N
MW277.08 g/mol
LogP2.03
Rot. Bonds2

About 1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile

1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile (PubChem CID 112595727) has the molecular formula C10H5BrN4O and a molecular weight of 277.08 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile
PubChem CID112595727
Molecular FormulaC10H5BrN4O
Molecular Weight277.08 g/mol
Exact Mass275.96
IUPAC Name1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(Cc2ccc(Br)o2)c1C#N
InChIInChI=1S/C10H5BrN4O/c11-10-2-1-7(16-10)5-15-6-14-8(3-12)9(15)4-13/h1-2,6H,5H2
InChIKeyLUCSTWWEVPQCEE-UHFFFAOYSA-N
XLogP2.03
TPSA78.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.08
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595486
1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595443
5-[(4,5-dicyanoimidazol-1-yl)methyl]furan-3-carboxylic acid
CID 112595005
1-[(3-amino-5-bromophenyl)methyl]imidazole-4,5-dicarbonitrile
CID 103350197
1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595726
1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
1-[(3-cyanophenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595123
1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]imidazole-4,5-dicarbonitrile
CID 75499870
5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 112595905
1-prop-2-ynylimidazole-4,5-dicarbonitrile
CID 112595691
1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile
CID 112595521
1-[(2,5-dimethylphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595464

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile (CID 112595727) is 1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile is N#Cc1ncn(Cc2ccc(Br)o2)c1C#N.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile?
The InChIKey is LUCSTWWEVPQCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN4O/c11-10-2-1-7(16-10)5-15-6-14-8(3-12)9(15)4-13/h1-2,6H,5H2.
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile?
1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile has a molecular weight of 277.08 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).