6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

C24H27FN6O2S — CID 11202500

IUPAC6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)cc21
InChIInChI=1S/C24H27FN6O2S/c1-15(2)34(32,33)31-21-13-17(5-8-20(21)29-24(31)26)23-22(16-3-6-18(25)7-4-16)28-14-30(23)19-9-11-27-12-10-19/h3-8,13-15,19,27H,9-12H2,1-2H3,(H2,26,29)
InChIKeyJUQPSJKGBGGQOU-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.80
Rot. Bonds5

About 6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (PubChem CID 11202500) has the molecular formula C24H27FN6O2S and a molecular weight of 482.59 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
PubChem CID11202500
Molecular FormulaC24H27FN6O2S
Molecular Weight482.59 g/mol
Exact Mass482.19
IUPAC Name6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)cc21
InChIInChI=1S/C24H27FN6O2S/c1-15(2)34(32,33)31-21-13-17(5-8-20(21)29-24(31)26)23-22(16-3-6-18(25)7-4-16)28-14-30(23)19-9-11-27-12-10-19/h3-8,13-15,19,27H,9-12H2,1-2H3,(H2,26,29)
InChIKeyJUQPSJKGBGGQOU-UHFFFAOYSA-N
XLogP3.80
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-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 6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (CID 11202500) is 6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)cc21.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The InChIKey is JUQPSJKGBGGQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2S/c1-15(2)34(32,33)31-21-13-17(5-8-20(21)29-24(31)26)23-22(16-3-6-18(25)7-4-16)28-14-30(23)19-9-11-27-12-10-19/h3-8,13-15,19,27H,9-12H2,1-2H3,(H2,26,29).
What are the key properties of 6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine has a molecular weight of 482.59 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is sourced from PubChem (CID 11202500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).