4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane

C18H27FN2O — CID 176685571

IUPAC4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane
SMILESC1CCOC1.CC(C)C1=CC(F)=c2ncn(C(C)C)c2=CC1
InChIInChI=1S/C14H19FN2.C4H8O/c1-9(2)11-5-6-13-14(12(15)7-11)16-8-17(13)10(3)4;1-2-4-5-3-1/h6-10H,5H2,1-4H3;1-4H2
InChIKeyQDWGVBFFEXIZAX-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.11
Rot. Bonds2

About 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane

4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane (PubChem CID 176685571) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane.

Molecular Properties

Compound Name4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane
PubChem CID176685571
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC Name4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane
SMILESC1CCOC1.CC(C)C1=CC(F)=c2ncn(C(C)C)c2=CC1
InChIInChI=1S/C14H19FN2.C4H8O/c1-9(2)11-5-6-13-14(12(15)7-11)16-8-17(13)10(3)4;1-2-4-5-3-1/h6-10H,5H2,1-4H3;1-4H2
InChIKeyQDWGVBFFEXIZAX-UHFFFAOYSA-N
XLogP3.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane?
The IUPAC name of 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane (CID 176685571) is 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane.
What is the SMILES notation for 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane?
The canonical SMILES for 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane is C1CCOC1.CC(C)C1=CC(F)=c2ncn(C(C)C)c2=CC1.
What is the InChIKey of 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane?
The InChIKey is QDWGVBFFEXIZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2.C4H8O/c1-9(2)11-5-6-13-14(12(15)7-11)16-8-17(13)10(3)4;1-2-4-5-3-1/h6-10H,5H2,1-4H3;1-4H2.
What are the key properties of 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane?
4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane has a molecular weight of 306.43 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane is sourced from PubChem (CID 176685571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).