1-[3-(4-fluorophenyl)propyl]imidazole

C12H13FN2 — CID 10081625

IUPAC1-[3-(4-fluorophenyl)propyl]imidazole
SMILESFc1ccc(CCCn2ccnc2)cc1
InChIInChI=1S/C12H13FN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2
InChIKeyBEKCOALNZLRGJA-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.65
Rot. Bonds4

About 1-[3-(4-fluorophenyl)propyl]imidazole

1-[3-(4-fluorophenyl)propyl]imidazole (PubChem CID 10081625) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)propyl]imidazole
PubChem CID10081625
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name1-[3-(4-fluorophenyl)propyl]imidazole
SMILESFc1ccc(CCCn2ccnc2)cc1
InChIInChI=1S/C12H13FN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2
InChIKeyBEKCOALNZLRGJA-UHFFFAOYSA-N
XLogP2.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)propyl]imidazole?
The IUPAC name of 1-[3-(4-fluorophenyl)propyl]imidazole (CID 10081625) is 1-[3-(4-fluorophenyl)propyl]imidazole.
What is the SMILES notation for 1-[3-(4-fluorophenyl)propyl]imidazole?
The canonical SMILES for 1-[3-(4-fluorophenyl)propyl]imidazole is Fc1ccc(CCCn2ccnc2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)propyl]imidazole?
The InChIKey is BEKCOALNZLRGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2.
What are the key properties of 1-[3-(4-fluorophenyl)propyl]imidazole?
1-[3-(4-fluorophenyl)propyl]imidazole has a molecular weight of 204.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)propyl]imidazole is sourced from PubChem (CID 10081625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).