1-ethyl-2-methyl-5-propan-2-ylimidazole

C9H16N2 — CID 20587967

IUPAC1-ethyl-2-methyl-5-propan-2-ylimidazole
SMILESCCn1c(C(C)C)cnc1C
InChIInChI=1S/C9H16N2/c1-5-11-8(4)10-6-9(11)7(2)3/h6-7H,5H2,1-4H3
InChIKeyUIDUPCLCSWTNII-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.33
Rot. Bonds2

About 1-ethyl-2-methyl-5-propan-2-ylimidazole

1-ethyl-2-methyl-5-propan-2-ylimidazole (PubChem CID 20587967) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-ethyl-2-methyl-5-propan-2-ylimidazole.

Molecular Properties

Compound Name1-ethyl-2-methyl-5-propan-2-ylimidazole
PubChem CID20587967
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-ethyl-2-methyl-5-propan-2-ylimidazole
SMILESCCn1c(C(C)C)cnc1C
InChIInChI=1S/C9H16N2/c1-5-11-8(4)10-6-9(11)7(2)3/h6-7H,5H2,1-4H3
InChIKeyUIDUPCLCSWTNII-UHFFFAOYSA-N
XLogP2.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-5-propan-2-ylimidazole?
The IUPAC name of 1-ethyl-2-methyl-5-propan-2-ylimidazole (CID 20587967) is 1-ethyl-2-methyl-5-propan-2-ylimidazole.
What is the SMILES notation for 1-ethyl-2-methyl-5-propan-2-ylimidazole?
The canonical SMILES for 1-ethyl-2-methyl-5-propan-2-ylimidazole is CCn1c(C(C)C)cnc1C.
What is the InChIKey of 1-ethyl-2-methyl-5-propan-2-ylimidazole?
The InChIKey is UIDUPCLCSWTNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-11-8(4)10-6-9(11)7(2)3/h6-7H,5H2,1-4H3.
What are the key properties of 1-ethyl-2-methyl-5-propan-2-ylimidazole?
1-ethyl-2-methyl-5-propan-2-ylimidazole has a molecular weight of 152.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-5-propan-2-ylimidazole is sourced from PubChem (CID 20587967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).