1-(5-bromopentyl)imidazole-4,5-dicarbonitrile

C10H11BrN4 — CID 112595045

IUPAC1-(5-bromopentyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CCCCCBr)c1C#N
InChIInChI=1S/C10H11BrN4/c11-4-2-1-3-5-15-8-14-9(6-12)10(15)7-13/h8H,1-5H2
InChIKeyKNZFQMSCQNAZDR-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.19
Rot. Bonds5

About 1-(5-bromopentyl)imidazole-4,5-dicarbonitrile

1-(5-bromopentyl)imidazole-4,5-dicarbonitrile (PubChem CID 112595045) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(5-bromopentyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(5-bromopentyl)imidazole-4,5-dicarbonitrile
PubChem CID112595045
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name1-(5-bromopentyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CCCCCBr)c1C#N
InChIInChI=1S/C10H11BrN4/c11-4-2-1-3-5-15-8-14-9(6-12)10(15)7-13/h8H,1-5H2
InChIKeyKNZFQMSCQNAZDR-UHFFFAOYSA-N
XLogP2.19
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-Bromoethoxymethyl)imidazole-4,5-dicarbonitrile
CID 3006671
1-Ethyl-1H-imidazole-4,5-dicarbonitrile
CID 15721926
1-(2-Fluoroethyl)imidazole-4,5-dicarbonitrile
CID 112595615
1-Propyl-1H-imidazole-4,5-dicarbonitrile
CID 15721928
1-Isopropyl-1H-imidazole-4,5-dicarbonitrile
CID 15721929
1-Butyl-1H-imidazole-4,5-dicarbonitrile
CID 15721930
1-(2-Cyanoethyl)-4,5-dicyanoimidazole
CID 112568362
1-(5,5,5-Trifluoropentyl)imidazole-4,5-dicarbonitrile
CID 86794663
1-(2-Bromo-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile
CID 112595053
1-(3,3,3-Trifluoropropyl)imidazole-4,5-dicarbonitrile
CID 112595570
1-(3-Fluoropropyl)imidazole-4,5-dicarbonitrile
CID 112595640
1-(4,4,4-Trifluorobutyl)imidazole-4,5-dicarbonitrile
CID 112595677

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopentyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(5-bromopentyl)imidazole-4,5-dicarbonitrile (CID 112595045) is 1-(5-bromopentyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(5-bromopentyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(5-bromopentyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(CCCCCBr)c1C#N.
What is the InChIKey of 1-(5-bromopentyl)imidazole-4,5-dicarbonitrile?
The InChIKey is KNZFQMSCQNAZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c11-4-2-1-3-5-15-8-14-9(6-12)10(15)7-13/h8H,1-5H2.
What are the key properties of 1-(5-bromopentyl)imidazole-4,5-dicarbonitrile?
1-(5-bromopentyl)imidazole-4,5-dicarbonitrile has a molecular weight of 267.13 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopentyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).