5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole

C13H14Cl2N2 — CID 91149338

IUPAC5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole
SMILESCCCCc1cnc(-c2cccc(Cl)c2Cl)[nH]1
InChIInChI=1S/C13H14Cl2N2/c1-2-3-5-9-8-16-13(17-9)10-6-4-7-11(14)12(10)15/h4,6-8H,2-3,5H2,1H3,(H,16,17)
InChIKeyBCJCMLAUGVMWQE-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.73
Rot. Bonds4

About 5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole

5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole (PubChem CID 91149338) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole
PubChem CID91149338
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole
SMILESCCCCc1cnc(-c2cccc(Cl)c2Cl)[nH]1
InChIInChI=1S/C13H14Cl2N2/c1-2-3-5-9-8-16-13(17-9)10-6-4-7-11(14)12(10)15/h4,6-8H,2-3,5H2,1H3,(H,16,17)
InChIKeyBCJCMLAUGVMWQE-UHFFFAOYSA-N
XLogP4.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole?
The IUPAC name of 5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole (CID 91149338) is 5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole.
What is the SMILES notation for 5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole?
The canonical SMILES for 5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole is CCCCc1cnc(-c2cccc(Cl)c2Cl)[nH]1.
What is the InChIKey of 5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole?
The InChIKey is BCJCMLAUGVMWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-2-3-5-9-8-16-13(17-9)10-6-4-7-11(14)12(10)15/h4,6-8H,2-3,5H2,1H3,(H,16,17).
What are the key properties of 5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole?
5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole has a molecular weight of 269.18 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole is sourced from PubChem (CID 91149338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).