2-butyl-1-phenyl-3-propyl-2H-imidazole

C16H24N2 — CID 69395415

IUPAC2-butyl-1-phenyl-3-propyl-2H-imidazole
SMILESCCCCC1N(CCC)C=CN1c1ccccc1
InChIInChI=1S/C16H24N2/c1-3-5-11-16-17(12-4-2)13-14-18(16)15-9-7-6-8-10-15/h6-10,13-14,16H,3-5,11-12H2,1-2H3
InChIKeyYLJQZTDLRNJOOR-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.21
Rot. Bonds6

About 2-butyl-1-phenyl-3-propyl-2H-imidazole

2-butyl-1-phenyl-3-propyl-2H-imidazole (PubChem CID 69395415) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-butyl-1-phenyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Name2-butyl-1-phenyl-3-propyl-2H-imidazole
PubChem CID69395415
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-butyl-1-phenyl-3-propyl-2H-imidazole
SMILESCCCCC1N(CCC)C=CN1c1ccccc1
InChIInChI=1S/C16H24N2/c1-3-5-11-16-17(12-4-2)13-14-18(16)15-9-7-6-8-10-15/h6-10,13-14,16H,3-5,11-12H2,1-2H3
InChIKeyYLJQZTDLRNJOOR-UHFFFAOYSA-N
XLogP4.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-phenyl-3-propyl-2H-imidazole?
The IUPAC name of 2-butyl-1-phenyl-3-propyl-2H-imidazole (CID 69395415) is 2-butyl-1-phenyl-3-propyl-2H-imidazole.
What is the SMILES notation for 2-butyl-1-phenyl-3-propyl-2H-imidazole?
The canonical SMILES for 2-butyl-1-phenyl-3-propyl-2H-imidazole is CCCCC1N(CCC)C=CN1c1ccccc1.
What is the InChIKey of 2-butyl-1-phenyl-3-propyl-2H-imidazole?
The InChIKey is YLJQZTDLRNJOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-5-11-16-17(12-4-2)13-14-18(16)15-9-7-6-8-10-15/h6-10,13-14,16H,3-5,11-12H2,1-2H3.
What are the key properties of 2-butyl-1-phenyl-3-propyl-2H-imidazole?
2-butyl-1-phenyl-3-propyl-2H-imidazole has a molecular weight of 244.38 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-phenyl-3-propyl-2H-imidazole is sourced from PubChem (CID 69395415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).