1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride

C18H17ClN2 — CID 67640452

IUPAC1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride
SMILESCl.c1ccc2c(c1)Cc1cc(CCn3ccnc3)ccc1-2
InChIInChI=1S/C18H16N2.ClH/c1-2-4-17-15(3-1)12-16-11-14(5-6-18(16)17)7-9-20-10-8-19-13-20;/h1-6,8,10-11,13H,7,9,12H2;1H
InChIKeySZUABSBCBQDMKT-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.12
Rot. Bonds3

About 1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride

1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride (PubChem CID 67640452) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride
PubChem CID67640452
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride
SMILESCl.c1ccc2c(c1)Cc1cc(CCn3ccnc3)ccc1-2
InChIInChI=1S/C18H16N2.ClH/c1-2-4-17-15(3-1)12-16-11-14(5-6-18(16)17)7-9-20-10-8-19-13-20;/h1-6,8,10-11,13H,7,9,12H2;1H
InChIKeySZUABSBCBQDMKT-UHFFFAOYSA-N
XLogP4.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride?
The IUPAC name of 1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride (CID 67640452) is 1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride?
The canonical SMILES for 1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride is Cl.c1ccc2c(c1)Cc1cc(CCn3ccnc3)ccc1-2.
What is the InChIKey of 1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride?
The InChIKey is SZUABSBCBQDMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2.ClH/c1-2-4-17-15(3-1)12-16-11-14(5-6-18(16)17)7-9-20-10-8-19-13-20;/h1-6,8,10-11,13H,7,9,12H2;1H.
What are the key properties of 1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride?
1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride is sourced from PubChem (CID 67640452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).