5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole

C14H15FN2 — CID 12981869

IUPAC5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESFc1ccc2c(c1)C=C(CC1CN=CN1)CC2
InChIInChI=1S/C14H15FN2/c15-13-4-3-11-2-1-10(5-12(11)7-13)6-14-8-16-9-17-14/h3-5,7,9,14H,1-2,6,8H2,(H,16,17)
InChIKeyWWUPWXOAAVDTKR-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.55
Rot. Bonds2

About 5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole

5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 12981869) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID12981869
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESFc1ccc2c(c1)C=C(CC1CN=CN1)CC2
InChIInChI=1S/C14H15FN2/c15-13-4-3-11-2-1-10(5-12(11)7-13)6-14-8-16-9-17-14/h3-5,7,9,14H,1-2,6,8H2,(H,16,17)
InChIKeyWWUPWXOAAVDTKR-UHFFFAOYSA-N
XLogP2.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole (CID 12981869) is 5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole is Fc1ccc2c(c1)C=C(CC1CN=CN1)CC2.
What is the InChIKey of 5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is WWUPWXOAAVDTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c15-13-4-3-11-2-1-10(5-12(11)7-13)6-14-8-16-9-17-14/h3-5,7,9,14H,1-2,6,8H2,(H,16,17).
What are the key properties of 5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole?
5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 230.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 12981869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).