2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole

C18H14FN3 — CID 171986423

IUPAC2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole
SMILESCn1ccnc1-c1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C18H14FN3/c1-22-11-10-20-18(22)16-14-4-2-3-5-15(14)21-17(16)12-6-8-13(19)9-7-12/h2-11,21H,1H3
InChIKeySQJRSRNTHVYOIJ-UHFFFAOYSA-N
MW291.33 g/mol
LogP4.37
Rot. Bonds2

About 2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole

2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole (PubChem CID 171986423) has the molecular formula C18H14FN3 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole
PubChem CID171986423
Molecular FormulaC18H14FN3
Molecular Weight291.33 g/mol
Exact Mass291.12
IUPAC Name2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole
SMILESCn1ccnc1-c1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C18H14FN3/c1-22-11-10-20-18(22)16-14-4-2-3-5-15(14)21-17(16)12-6-8-13(19)9-7-12/h2-11,21H,1H3
InChIKeySQJRSRNTHVYOIJ-UHFFFAOYSA-N
XLogP4.37
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole?
The IUPAC name of 2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole (CID 171986423) is 2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole?
The canonical SMILES for 2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole is Cn1ccnc1-c1c(-c2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole?
The InChIKey is SQJRSRNTHVYOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3/c1-22-11-10-20-18(22)16-14-4-2-3-5-15(14)21-17(16)12-6-8-13(19)9-7-12/h2-11,21H,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole?
2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole has a molecular weight of 291.33 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole is sourced from PubChem (CID 171986423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).