4-butyl-1-(3,4-dichlorophenyl)imidazole

C13H14Cl2N2 — CID 91436989

IUPAC4-butyl-1-(3,4-dichlorophenyl)imidazole
SMILESCCCCc1cn(-c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C13H14Cl2N2/c1-2-3-4-10-8-17(9-16-10)11-5-6-12(14)13(15)7-11/h5-9H,2-4H2,1H3
InChIKeyIFQDHSYOYSNQFF-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.52
Rot. Bonds4

About 4-butyl-1-(3,4-dichlorophenyl)imidazole

4-butyl-1-(3,4-dichlorophenyl)imidazole (PubChem CID 91436989) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 4-butyl-1-(3,4-dichlorophenyl)imidazole.

Molecular Properties

Compound Name4-butyl-1-(3,4-dichlorophenyl)imidazole
PubChem CID91436989
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name4-butyl-1-(3,4-dichlorophenyl)imidazole
SMILESCCCCc1cn(-c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C13H14Cl2N2/c1-2-3-4-10-8-17(9-16-10)11-5-6-12(14)13(15)7-11/h5-9H,2-4H2,1H3
InChIKeyIFQDHSYOYSNQFF-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(3,4-dichlorophenyl)imidazole?
The IUPAC name of 4-butyl-1-(3,4-dichlorophenyl)imidazole (CID 91436989) is 4-butyl-1-(3,4-dichlorophenyl)imidazole.
What is the SMILES notation for 4-butyl-1-(3,4-dichlorophenyl)imidazole?
The canonical SMILES for 4-butyl-1-(3,4-dichlorophenyl)imidazole is CCCCc1cn(-c2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 4-butyl-1-(3,4-dichlorophenyl)imidazole?
The InChIKey is IFQDHSYOYSNQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-2-3-4-10-8-17(9-16-10)11-5-6-12(14)13(15)7-11/h5-9H,2-4H2,1H3.
What are the key properties of 4-butyl-1-(3,4-dichlorophenyl)imidazole?
4-butyl-1-(3,4-dichlorophenyl)imidazole has a molecular weight of 269.18 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(3,4-dichlorophenyl)imidazole is sourced from PubChem (CID 91436989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).