(3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one

C24H24FN3O — CID 132991310

IUPAC(3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one
SMILESCc1c([C@@H](CC(=O)c2nccn2C(C)C)c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C24H24FN3O/c1-15(2)28-13-12-26-24(28)22(29)14-20(17-8-10-18(25)11-9-17)23-16(3)19-6-4-5-7-21(19)27-23/h4-13,15,20,27H,14H2,1-3H3/t20-/m0/s1
InChIKeyFTHDFXLZFDDHCO-FQEVSTJZSA-N
MW389.47 g/mol
LogP5.80
Rot. Bonds6

About (3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one

(3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one (PubChem CID 132991310) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one
PubChem CID132991310
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name(3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one
SMILESCc1c([C@@H](CC(=O)c2nccn2C(C)C)c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C24H24FN3O/c1-15(2)28-13-12-26-24(28)22(29)14-20(17-8-10-18(25)11-9-17)23-16(3)19-6-4-5-7-21(19)27-23/h4-13,15,20,27H,14H2,1-3H3/t20-/m0/s1
InChIKeyFTHDFXLZFDDHCO-FQEVSTJZSA-N
XLogP5.80
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one?
The IUPAC name of (3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one (CID 132991310) is (3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one is Cc1c([C@@H](CC(=O)c2nccn2C(C)C)c2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one?
The InChIKey is FTHDFXLZFDDHCO-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-15(2)28-13-12-26-24(28)22(29)14-20(17-8-10-18(25)11-9-17)23-16(3)19-6-4-5-7-21(19)27-23/h4-13,15,20,27H,14H2,1-3H3/t20-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one?
(3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one has a molecular weight of 389.47 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 132991310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).