1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile

C11H4BrClN4 — CID 146004115

IUPAC1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ccc(Br)cc2Cl)c1C#N
InChIInChI=1S/C11H4BrClN4/c12-7-1-2-10(8(13)3-7)17-6-16-9(4-14)11(17)5-15/h1-3,6H
InChIKeyHIRJLOIQXQQTKU-UHFFFAOYSA-N
MW307.54 g/mol
LogP3.03
Rot. Bonds1

About 1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile

1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile (PubChem CID 146004115) has the molecular formula C11H4BrClN4 and a molecular weight of 307.54 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
PubChem CID146004115
Molecular FormulaC11H4BrClN4
Molecular Weight307.54 g/mol
Exact Mass305.93
IUPAC Name1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ccc(Br)cc2Cl)c1C#N
InChIInChI=1S/C11H4BrClN4/c12-7-1-2-10(8(13)3-7)17-6-16-9(4-14)11(17)5-15/h1-3,6H
InChIKeyHIRJLOIQXQQTKU-UHFFFAOYSA-N
XLogP3.03
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.54
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 103583527
1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595880
1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
CID 114202972
1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
CID 115944874
1-(2-amino-5-chloro-4-fluorophenyl)imidazole-4,5-dicarbonitrile
CID 114089127
1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
CID 112595092
1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 115945020
1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile
CID 115944700
1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
CID 114854944
1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile
CID 112595275
1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595882
3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide
CID 115944543

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile (CID 146004115) is 1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(-c2ccc(Br)cc2Cl)c1C#N.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile?
The InChIKey is HIRJLOIQXQQTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrClN4/c12-7-1-2-10(8(13)3-7)17-6-16-9(4-14)11(17)5-15/h1-3,6H.
What are the key properties of 1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile?
1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile has a molecular weight of 307.54 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 146004115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).