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

C14H19FN2 — CID 176685572

IUPAC4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
SMILESCC(C)C1=CC(F)=c2ncn(C(C)C)c2=CC1
InChIInChI=1S/C14H19FN2/c1-9(2)11-5-6-13-14(12(15)7-11)16-8-17(13)10(3)4/h6-10H,5H2,1-4H3
InChIKeyUNBUZWMXSIVMND-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.31
Rot. Bonds2

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

4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole (PubChem CID 176685572) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
PubChem CID176685572
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
SMILESCC(C)C1=CC(F)=c2ncn(C(C)C)c2=CC1
InChIInChI=1S/C14H19FN2/c1-9(2)11-5-6-13-14(12(15)7-11)16-8-17(13)10(3)4/h6-10H,5H2,1-4H3
InChIKeyUNBUZWMXSIVMND-UHFFFAOYSA-N
XLogP2.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole
CID 138535079
2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
CID 176685424
2-[2-(azetidin-1-yl)propan-2-yl]-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
CID 176685776
6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole
CID 176685557
6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole
CID 176685570
6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine
CID 123692248
ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
CID 176685423

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole?
The IUPAC name of 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole (CID 176685572) is 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole.
What is the SMILES notation for 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole?
The canonical SMILES for 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole is 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?
The InChIKey is UNBUZWMXSIVMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-9(2)11-5-6-13-14(12(15)7-11)16-8-17(13)10(3)4/h6-10H,5H2,1-4H3.
What are the key properties of 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole?
4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole has a molecular weight of 234.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole is sourced from PubChem (CID 176685572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).