1,4-diethylbenzene;1H-imidazole

C13H18N2 — CID 175237966

IUPAC1,4-diethylbenzene;1H-imidazole
SMILESCCc1ccc(CC)cc1.c1c[nH]cn1
InChIInChI=1S/C10H14.C3H4N2/c1-3-9-5-7-10(4-2)8-6-9;1-2-5-3-4-1/h5-8H,3-4H2,1-2H3;1-3H,(H,4,5)
InChIKeyCKZQNWRZBJFCJK-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.22
Rot. Bonds2

About 1,4-diethylbenzene;1H-imidazole

1,4-diethylbenzene;1H-imidazole (PubChem CID 175237966) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1,4-diethylbenzene;1H-imidazole.

Molecular Properties

Compound Name1,4-diethylbenzene;1H-imidazole
PubChem CID175237966
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1,4-diethylbenzene;1H-imidazole
SMILESCCc1ccc(CC)cc1.c1c[nH]cn1
InChIInChI=1S/C10H14.C3H4N2/c1-3-9-5-7-10(4-2)8-6-9;1-2-5-3-4-1/h5-8H,3-4H2,1-2H3;1-3H,(H,4,5)
InChIKeyCKZQNWRZBJFCJK-UHFFFAOYSA-N
XLogP3.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethylbenzene;1H-imidazole?
The IUPAC name of 1,4-diethylbenzene;1H-imidazole (CID 175237966) is 1,4-diethylbenzene;1H-imidazole.
What is the SMILES notation for 1,4-diethylbenzene;1H-imidazole?
The canonical SMILES for 1,4-diethylbenzene;1H-imidazole is CCc1ccc(CC)cc1.c1c[nH]cn1.
What is the InChIKey of 1,4-diethylbenzene;1H-imidazole?
The InChIKey is CKZQNWRZBJFCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C3H4N2/c1-3-9-5-7-10(4-2)8-6-9;1-2-5-3-4-1/h5-8H,3-4H2,1-2H3;1-3H,(H,4,5).
What are the key properties of 1,4-diethylbenzene;1H-imidazole?
1,4-diethylbenzene;1H-imidazole has a molecular weight of 202.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylbenzene;1H-imidazole is sourced from PubChem (CID 175237966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).