5-ethyl-2-(2-methylpropyl)-1H-imidazole

C9H16N2 — CID 70669339

IUPAC5-ethyl-2-(2-methylpropyl)-1H-imidazole
SMILESCCc1cnc(CC(C)C)[nH]1
InChIInChI=1S/C9H16N2/c1-4-8-6-10-9(11-8)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyURBBXMPDDYWXAP-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.17
Rot. Bonds3

About 5-ethyl-2-(2-methylpropyl)-1H-imidazole

5-ethyl-2-(2-methylpropyl)-1H-imidazole (PubChem CID 70669339) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-ethyl-2-(2-methylpropyl)-1H-imidazole.

Molecular Properties

Compound Name5-ethyl-2-(2-methylpropyl)-1H-imidazole
PubChem CID70669339
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-ethyl-2-(2-methylpropyl)-1H-imidazole
SMILESCCc1cnc(CC(C)C)[nH]1
InChIInChI=1S/C9H16N2/c1-4-8-6-10-9(11-8)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyURBBXMPDDYWXAP-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-methylpropyl)-1H-imidazole?
The IUPAC name of 5-ethyl-2-(2-methylpropyl)-1H-imidazole (CID 70669339) is 5-ethyl-2-(2-methylpropyl)-1H-imidazole.
What is the SMILES notation for 5-ethyl-2-(2-methylpropyl)-1H-imidazole?
The canonical SMILES for 5-ethyl-2-(2-methylpropyl)-1H-imidazole is CCc1cnc(CC(C)C)[nH]1.
What is the InChIKey of 5-ethyl-2-(2-methylpropyl)-1H-imidazole?
The InChIKey is URBBXMPDDYWXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8-6-10-9(11-8)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 5-ethyl-2-(2-methylpropyl)-1H-imidazole?
5-ethyl-2-(2-methylpropyl)-1H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-methylpropyl)-1H-imidazole is sourced from PubChem (CID 70669339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).