7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol

C25H32N2O3 — CID 67382133

IUPAC7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol
SMILESCCC1(CCCCCC(CO)c2ncc(-c3ccc4ccccc4c3)[nH]2)OCCO1
InChIInChI=1S/C25H32N2O3/c1-2-25(29-14-15-30-25)13-7-3-4-10-22(18-28)24-26-17-23(27-24)21-12-11-19-8-5-6-9-20(19)16-21/h5-6,8-9,11-12,16-17,22,28H,2-4,7,10,13-15,18H2,1H3,(H,26,27)
InChIKeySASKWWCDEZHHNX-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.41
Rot. Bonds10

About 7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol

7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol (PubChem CID 67382133) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol.

Molecular Properties

Compound Name7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol
PubChem CID67382133
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol
SMILESCCC1(CCCCCC(CO)c2ncc(-c3ccc4ccccc4c3)[nH]2)OCCO1
InChIInChI=1S/C25H32N2O3/c1-2-25(29-14-15-30-25)13-7-3-4-10-22(18-28)24-26-17-23(27-24)21-12-11-19-8-5-6-9-20(19)16-21/h5-6,8-9,11-12,16-17,22,28H,2-4,7,10,13-15,18H2,1H3,(H,26,27)
InChIKeySASKWWCDEZHHNX-UHFFFAOYSA-N
XLogP5.41
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol?
The IUPAC name of 7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol (CID 67382133) is 7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol.
What is the SMILES notation for 7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol?
The canonical SMILES for 7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol is CCC1(CCCCCC(CO)c2ncc(-c3ccc4ccccc4c3)[nH]2)OCCO1.
What is the InChIKey of 7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol?
The InChIKey is SASKWWCDEZHHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-2-25(29-14-15-30-25)13-7-3-4-10-22(18-28)24-26-17-23(27-24)21-12-11-19-8-5-6-9-20(19)16-21/h5-6,8-9,11-12,16-17,22,28H,2-4,7,10,13-15,18H2,1H3,(H,26,27).
What are the key properties of 7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol?
7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol has a molecular weight of 408.54 g/mol, XLogP of 5.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethyl-1,3-dioxolan-2-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptan-1-ol is sourced from PubChem (CID 67382133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).