3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine

C28H29FN2O — CID 138679145

IUPAC3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3ccc4c(ccn4C)c3)ccc21
InChIInChI=1S/C28H29FN2O/c1-30(2)15-4-14-28(24-7-9-25(29)10-8-24)26-11-5-20(18-23(26)19-32-28)21-6-12-27-22(17-21)13-16-31(27)3/h5-13,16-18H,4,14-15,19H2,1-3H3
InChIKeyBFPCKDLAHNTZIX-UHFFFAOYSA-N
MW428.55 g/mol
LogP6.10
Rot. Bonds6

About 3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine

3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 138679145) has the molecular formula C28H29FN2O and a molecular weight of 428.55 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID138679145
Molecular FormulaC28H29FN2O
Molecular Weight428.55 g/mol
Exact Mass428.23
IUPAC Name3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3ccc4c(ccn4C)c3)ccc21
InChIInChI=1S/C28H29FN2O/c1-30(2)15-4-14-28(24-7-9-25(29)10-8-24)26-11-5-20(18-23(26)19-32-28)21-6-12-27-22(17-21)13-16-31(27)3/h5-13,16-18H,4,14-15,19H2,1-3H3
InChIKeyBFPCKDLAHNTZIX-UHFFFAOYSA-N
XLogP6.10
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.55
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine (CID 138679145) is 3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3ccc4c(ccn4C)c3)ccc21.
What is the InChIKey of 3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is BFPCKDLAHNTZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O/c1-30(2)15-4-14-28(24-7-9-25(29)10-8-24)26-11-5-20(18-23(26)19-32-28)21-6-12-27-22(17-21)13-16-31(27)3/h5-13,16-18H,4,14-15,19H2,1-3H3.
What are the key properties of 3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 428.55 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-5-(1-methylindol-5-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 138679145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).