4-ethyl-2-methyl-5-propyl-1H-imidazole

C9H16N2 — CID 67591389

IUPAC4-ethyl-2-methyl-5-propyl-1H-imidazole
SMILESCCCc1[nH]c(C)nc1CC
InChIInChI=1S/C9H16N2/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyDLVKJXKXHUXKQA-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.23
Rot. Bonds3

About 4-ethyl-2-methyl-5-propyl-1H-imidazole

4-ethyl-2-methyl-5-propyl-1H-imidazole (PubChem CID 67591389) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-propyl-1H-imidazole.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-propyl-1H-imidazole
PubChem CID67591389
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-ethyl-2-methyl-5-propyl-1H-imidazole
SMILESCCCc1[nH]c(C)nc1CC
InChIInChI=1S/C9H16N2/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyDLVKJXKXHUXKQA-UHFFFAOYSA-N
XLogP2.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-propyl-1H-imidazole?
The IUPAC name of 4-ethyl-2-methyl-5-propyl-1H-imidazole (CID 67591389) is 4-ethyl-2-methyl-5-propyl-1H-imidazole.
What is the SMILES notation for 4-ethyl-2-methyl-5-propyl-1H-imidazole?
The canonical SMILES for 4-ethyl-2-methyl-5-propyl-1H-imidazole is CCCc1[nH]c(C)nc1CC.
What is the InChIKey of 4-ethyl-2-methyl-5-propyl-1H-imidazole?
The InChIKey is DLVKJXKXHUXKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-ethyl-2-methyl-5-propyl-1H-imidazole?
4-ethyl-2-methyl-5-propyl-1H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-propyl-1H-imidazole is sourced from PubChem (CID 67591389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).