2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole

C15H19FN2 — CID 21390938

IUPAC2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc2c1C(CC1=NCCN1)CCCC2
InChIInChI=1S/C15H19FN2/c16-13-7-3-6-11-4-1-2-5-12(15(11)13)10-14-17-8-9-18-14/h3,6-7,12H,1-2,4-5,8-10H2,(H,17,18)
InChIKeyJVNLSSJUUAHZAI-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.03
Rot. Bonds2

About 2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole

2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 21390938) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID21390938
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc2c1C(CC1=NCCN1)CCCC2
InChIInChI=1S/C15H19FN2/c16-13-7-3-6-11-4-1-2-5-12(15(11)13)10-14-17-8-9-18-14/h3,6-7,12H,1-2,4-5,8-10H2,(H,17,18)
InChIKeyJVNLSSJUUAHZAI-UHFFFAOYSA-N
XLogP3.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole (CID 21390938) is 2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole is Fc1cccc2c1C(CC1=NCCN1)CCCC2.
What is the InChIKey of 2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is JVNLSSJUUAHZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c16-13-7-3-6-11-4-1-2-5-12(15(11)13)10-14-17-8-9-18-14/h3,6-7,12H,1-2,4-5,8-10H2,(H,17,18).
What are the key properties of 2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole?
2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 246.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 21390938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).