5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile

C10H7BrN4 — CID 129452946

IUPAC5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile
SMILESN#Cc1ncn(-c2cccc(Br)c2)c1N
InChIInChI=1S/C10H7BrN4/c11-7-2-1-3-8(4-7)15-6-14-9(5-12)10(15)13/h1-4,6H,13H2
InChIKeyGQWUYXQVGMPTOS-UHFFFAOYSA-N
MW263.10 g/mol
LogP2.09
Rot. Bonds1

About 5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile

5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile (PubChem CID 129452946) has the molecular formula C10H7BrN4 and a molecular weight of 263.10 g/mol. Its IUPAC name is 5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile
PubChem CID129452946
Molecular FormulaC10H7BrN4
Molecular Weight263.10 g/mol
Exact Mass261.99
IUPAC Name5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile
SMILESN#Cc1ncn(-c2cccc(Br)c2)c1N
InChIInChI=1S/C10H7BrN4/c11-7-2-1-3-8(4-7)15-6-14-9(5-12)10(15)13/h1-4,6H,13H2
InChIKeyGQWUYXQVGMPTOS-UHFFFAOYSA-N
XLogP2.09
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.10
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile
CID 129453009
5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile
CID 14959004
5-amino-1-pyridin-2-ylimidazole-4-carbonitrile
CID 14710201
5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile
CID 130469589
5-amino-1-(3-bromophenyl)-3-(4-chlorophenyl)pyrazole-4-carbonitrile
CID 171397335
5-amino-1-(3-bromophenyl)-3-(2,2,2-trifluoroethylamino)pyrazole-4-carbonitrile
CID 102795877
2-amino-5-(4,5-dicyanoimidazol-1-yl)benzoic acid
CID 112595309
1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
CID 146004115
4-(3-bromophenyl)-1,2,4-triazole
CID 18001275
5-amino-1-(3-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
CID 102795874
ethyl 5-amino-1-(3-bromophenyl)-4-cyanopyrazole-3-carboxylate
CID 46739210
5-(3-bromophenyl)-1-methyltriazole-4-carbonitrile
CID 82207681

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile (CID 129452946) is 5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile is N#Cc1ncn(-c2cccc(Br)c2)c1N.
What is the InChIKey of 5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile?
The InChIKey is GQWUYXQVGMPTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4/c11-7-2-1-3-8(4-7)15-6-14-9(5-12)10(15)13/h1-4,6H,13H2.
What are the key properties of 5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile?
5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile has a molecular weight of 263.10 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile is sourced from PubChem (CID 129452946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).