2-butyl-5-propyl-1H-imidazole

C10H18N2 — CID 68810469

IUPAC2-butyl-5-propyl-1H-imidazole
SMILESCCCCc1ncc(CCC)[nH]1
InChIInChI=1S/C10H18N2/c1-3-5-7-10-11-8-9(12-10)6-4-2/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyFTMGWHSOBSYXGJ-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.70
Rot. Bonds5

About 2-butyl-5-propyl-1H-imidazole

2-butyl-5-propyl-1H-imidazole (PubChem CID 68810469) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-butyl-5-propyl-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-propyl-1H-imidazole
PubChem CID68810469
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-butyl-5-propyl-1H-imidazole
SMILESCCCCc1ncc(CCC)[nH]1
InChIInChI=1S/C10H18N2/c1-3-5-7-10-11-8-9(12-10)6-4-2/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyFTMGWHSOBSYXGJ-UHFFFAOYSA-N
XLogP2.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-propyl-1H-imidazole?
The IUPAC name of 2-butyl-5-propyl-1H-imidazole (CID 68810469) is 2-butyl-5-propyl-1H-imidazole.
What is the SMILES notation for 2-butyl-5-propyl-1H-imidazole?
The canonical SMILES for 2-butyl-5-propyl-1H-imidazole is CCCCc1ncc(CCC)[nH]1.
What is the InChIKey of 2-butyl-5-propyl-1H-imidazole?
The InChIKey is FTMGWHSOBSYXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-7-10-11-8-9(12-10)6-4-2/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-butyl-5-propyl-1H-imidazole?
2-butyl-5-propyl-1H-imidazole has a molecular weight of 166.27 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-propyl-1H-imidazole is sourced from PubChem (CID 68810469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).