1,4-di(propan-2-yl)imidazole

C9H16N2 — CID 10012104

IUPAC1,4-di(propan-2-yl)imidazole
SMILESCC(C)c1cn(C(C)C)cn1
InChIInChI=1S/C9H16N2/c1-7(2)9-5-11(6-10-9)8(3)4/h5-8H,1-4H3
InChIKeyFQGGMDHXCMSLQW-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.59
Rot. Bonds2

About 1,4-di(propan-2-yl)imidazole

1,4-di(propan-2-yl)imidazole (PubChem CID 10012104) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)imidazole.

Molecular Properties

Compound Name1,4-di(propan-2-yl)imidazole
PubChem CID10012104
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,4-di(propan-2-yl)imidazole
SMILESCC(C)c1cn(C(C)C)cn1
InChIInChI=1S/C9H16N2/c1-7(2)9-5-11(6-10-9)8(3)4/h5-8H,1-4H3
InChIKeyFQGGMDHXCMSLQW-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)imidazole?
The IUPAC name of 1,4-di(propan-2-yl)imidazole (CID 10012104) is 1,4-di(propan-2-yl)imidazole.
What is the SMILES notation for 1,4-di(propan-2-yl)imidazole?
The canonical SMILES for 1,4-di(propan-2-yl)imidazole is CC(C)c1cn(C(C)C)cn1.
What is the InChIKey of 1,4-di(propan-2-yl)imidazole?
The InChIKey is FQGGMDHXCMSLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)9-5-11(6-10-9)8(3)4/h5-8H,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)imidazole?
1,4-di(propan-2-yl)imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)imidazole is sourced from PubChem (CID 10012104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).