1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole

C18H14FN3 — CID 71568307

IUPAC1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole
SMILESFc1ccc(-n2c(Cn3ccnc3)cc3ccccc32)cc1
InChIInChI=1S/C18H14FN3/c19-15-5-7-16(8-6-15)22-17(12-21-10-9-20-13-21)11-14-3-1-2-4-18(14)22/h1-11,13H,12H2
InChIKeyWSSLWHMGJGKKSA-UHFFFAOYSA-N
MW291.33 g/mol
LogP4.01
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole

1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole (PubChem CID 71568307) has the molecular formula C18H14FN3 and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole
PubChem CID71568307
Molecular FormulaC18H14FN3
Molecular Weight291.33 g/mol
Exact Mass291.12
IUPAC Name1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole
SMILESFc1ccc(-n2c(Cn3ccnc3)cc3ccccc32)cc1
InChIInChI=1S/C18H14FN3/c19-15-5-7-16(8-6-15)22-17(12-21-10-9-20-13-21)11-14-3-1-2-4-18(14)22/h1-11,13H,12H2
InChIKeyWSSLWHMGJGKKSA-UHFFFAOYSA-N
XLogP4.01
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole?
The IUPAC name of 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole (CID 71568307) is 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole?
The canonical SMILES for 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole is Fc1ccc(-n2c(Cn3ccnc3)cc3ccccc32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole?
The InChIKey is WSSLWHMGJGKKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3/c19-15-5-7-16(8-6-15)22-17(12-21-10-9-20-13-21)11-14-3-1-2-4-18(14)22/h1-11,13H,12H2.
What are the key properties of 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole?
1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole has a molecular weight of 291.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)indole is sourced from PubChem (CID 71568307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).