5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile

C10H7BrN4 — CID 129453009

IUPAC5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile
SMILESN#Cc1ncn(-c2ccccc2Br)c1N
InChIInChI=1S/C10H7BrN4/c11-7-3-1-2-4-9(7)15-6-14-8(5-12)10(15)13/h1-4,6H,13H2
InChIKeyJZACGDQVRIAGAU-UHFFFAOYSA-N
MW263.10 g/mol
LogP2.09
Rot. Bonds1

About 5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile

5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile (PubChem CID 129453009) has the molecular formula C10H7BrN4 and a molecular weight of 263.10 g/mol. Its IUPAC name is 5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile
PubChem CID129453009
Molecular FormulaC10H7BrN4
Molecular Weight263.10 g/mol
Exact Mass261.99
IUPAC Name5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile
SMILESN#Cc1ncn(-c2ccccc2Br)c1N
InChIInChI=1S/C10H7BrN4/c11-7-3-1-2-4-9(7)15-6-14-8(5-12)10(15)13/h1-4,6H,13H2
InChIKeyJZACGDQVRIAGAU-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-pyridin-2-ylimidazole-4-carbonitrile
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5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile
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CID 14959004
1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile
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1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
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2-(3-amino-1,2,4-triazol-1-yl)-6-bromobenzonitrile
CID 114887559
2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,10,12,14-hexaene-5-carbonitrile
CID 19902182
5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795895
1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 112595783
5-amino-1-(2-bromophenyl)-3-(propan-2-ylamino)pyrazole-4-carbonitrile
CID 102795888
2-amino-9-(2-bromophenyl)-1H-purin-6-one
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3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 62672376

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile (CID 129453009) is 5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile is N#Cc1ncn(-c2ccccc2Br)c1N.
What is the InChIKey of 5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile?
The InChIKey is JZACGDQVRIAGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4/c11-7-3-1-2-4-9(7)15-6-14-8(5-12)10(15)13/h1-4,6H,13H2.
What are the key properties of 5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile?
5-amino-1-(2-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-(2-bromophenyl)imidazole-4-carbonitrile is sourced from PubChem (CID 129453009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).