1,2,5-trimethyl-4-propan-2-ylimidazole

C9H16N2 — CID 18335538

IUPAC1,2,5-trimethyl-4-propan-2-ylimidazole
SMILESCc1nc(C(C)C)c(C)n1C
InChIInChI=1S/C9H16N2/c1-6(2)9-7(3)11(5)8(4)10-9/h6H,1-5H3
InChIKeyYTCMVQDUUSFYNP-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.16
Rot. Bonds1

About 1,2,5-trimethyl-4-propan-2-ylimidazole

1,2,5-trimethyl-4-propan-2-ylimidazole (PubChem CID 18335538) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,2,5-trimethyl-4-propan-2-ylimidazole.

Molecular Properties

Compound Name1,2,5-trimethyl-4-propan-2-ylimidazole
PubChem CID18335538
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,2,5-trimethyl-4-propan-2-ylimidazole
SMILESCc1nc(C(C)C)c(C)n1C
InChIInChI=1S/C9H16N2/c1-6(2)9-7(3)11(5)8(4)10-9/h6H,1-5H3
InChIKeyYTCMVQDUUSFYNP-UHFFFAOYSA-N
XLogP2.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4-propan-2-ylimidazole?
The IUPAC name of 1,2,5-trimethyl-4-propan-2-ylimidazole (CID 18335538) is 1,2,5-trimethyl-4-propan-2-ylimidazole.
What is the SMILES notation for 1,2,5-trimethyl-4-propan-2-ylimidazole?
The canonical SMILES for 1,2,5-trimethyl-4-propan-2-ylimidazole is Cc1nc(C(C)C)c(C)n1C.
What is the InChIKey of 1,2,5-trimethyl-4-propan-2-ylimidazole?
The InChIKey is YTCMVQDUUSFYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6(2)9-7(3)11(5)8(4)10-9/h6H,1-5H3.
What are the key properties of 1,2,5-trimethyl-4-propan-2-ylimidazole?
1,2,5-trimethyl-4-propan-2-ylimidazole has a molecular weight of 152.24 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4-propan-2-ylimidazole is sourced from PubChem (CID 18335538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).