benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane

C25H44N4 — CID 159409426

IUPACbenzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane
SMILESCC.CC.CC.CC.CCc1nc(-c2ccncn2)c(CC)[nH]1.c1ccccc1
InChIInChI=1S/C11H14N4.C6H6.4C2H6/c1-3-8-11(15-10(4-2)14-8)9-5-6-12-7-13-9;1-2-4-6-5-3-1;4*1-2/h5-7H,3-4H2,1-2H3,(H,14,15);1-6H;4*1-2H3
InChIKeyLOJPSNDZNGMYQW-UHFFFAOYSA-N
MW400.66 g/mol
LogP7.78
Rot. Bonds3

About benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane

benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane (PubChem CID 159409426) has the molecular formula C25H44N4 and a molecular weight of 400.66 g/mol. Its IUPAC name is benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane.

Molecular Properties

Compound Namebenzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane
PubChem CID159409426
Molecular FormulaC25H44N4
Molecular Weight400.66 g/mol
Exact Mass400.36
IUPAC Namebenzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane
SMILESCC.CC.CC.CC.CCc1nc(-c2ccncn2)c(CC)[nH]1.c1ccccc1
InChIInChI=1S/C11H14N4.C6H6.4C2H6/c1-3-8-11(15-10(4-2)14-8)9-5-6-12-7-13-9;1-2-4-6-5-3-1;4*1-2/h5-7H,3-4H2,1-2H3,(H,14,15);1-6H;4*1-2H3
InChIKeyLOJPSNDZNGMYQW-UHFFFAOYSA-N
XLogP7.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.66
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane?
The IUPAC name of benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane (CID 159409426) is benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane.
What is the SMILES notation for benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane?
The canonical SMILES for benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane is CC.CC.CC.CC.CCc1nc(-c2ccncn2)c(CC)[nH]1.c1ccccc1.
What is the InChIKey of benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane?
The InChIKey is LOJPSNDZNGMYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.C6H6.4C2H6/c1-3-8-11(15-10(4-2)14-8)9-5-6-12-7-13-9;1-2-4-6-5-3-1;4*1-2/h5-7H,3-4H2,1-2H3,(H,14,15);1-6H;4*1-2H3.
What are the key properties of benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane?
benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane has a molecular weight of 400.66 g/mol, XLogP of 7.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane is sourced from PubChem (CID 159409426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).