1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole

C15H15FN4 — CID 56740343

IUPAC1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole
SMILESCn1ccnc1-c1nccn1CCc1cccc(F)c1
InChIInChI=1S/C15H15FN4/c1-19-9-6-17-14(19)15-18-7-10-20(15)8-5-12-3-2-4-13(16)11-12/h2-4,6-7,9-11H,5,8H2,1H3
InChIKeyZCCWCMRKYZDYLC-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.67
Rot. Bonds4

About 1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole

1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole (PubChem CID 56740343) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole
PubChem CID56740343
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole
SMILESCn1ccnc1-c1nccn1CCc1cccc(F)c1
InChIInChI=1S/C15H15FN4/c1-19-9-6-17-14(19)15-18-7-10-20(15)8-5-12-3-2-4-13(16)11-12/h2-4,6-7,9-11H,5,8H2,1H3
InChIKeyZCCWCMRKYZDYLC-UHFFFAOYSA-N
XLogP2.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole (CID 56740343) is 1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole is Cn1ccnc1-c1nccn1CCc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole?
The InChIKey is ZCCWCMRKYZDYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c1-19-9-6-17-14(19)15-18-7-10-20(15)8-5-12-3-2-4-13(16)11-12/h2-4,6-7,9-11H,5,8H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole?
1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole has a molecular weight of 270.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-2-(1-methylimidazol-2-yl)imidazole is sourced from PubChem (CID 56740343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).