6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine

C24H28N6O2S — CID 11225063

IUPAC6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(C4CCNCC4)[nH]c3-c3ccccc3)cc21
InChIInChI=1S/C24H28N6O2S/c1-15(2)33(31,32)30-20-14-18(8-9-19(20)27-24(30)25)22-21(16-6-4-3-5-7-16)28-23(29-22)17-10-12-26-13-11-17/h3-9,14-15,17,26H,10-13H2,1-2H3,(H2,25,27)(H,28,29)
InChIKeyAHYBUDNXNREQSI-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.73
Rot. Bonds5

About 6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine

6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine (PubChem CID 11225063) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is 6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine
PubChem CID11225063
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC Name6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(C4CCNCC4)[nH]c3-c3ccccc3)cc21
InChIInChI=1S/C24H28N6O2S/c1-15(2)33(31,32)30-20-14-18(8-9-19(20)27-24(30)25)22-21(16-6-4-3-5-7-16)28-23(29-22)17-10-12-26-13-11-17/h3-9,14-15,17,26H,10-13H2,1-2H3,(H2,25,27)(H,28,29)
InChIKeyAHYBUDNXNREQSI-UHFFFAOYSA-N
XLogP3.73
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-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-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The IUPAC name of 6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine (CID 11225063) is 6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine.
What is the SMILES notation for 6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The canonical SMILES for 6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine is CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(C4CCNCC4)[nH]c3-c3ccccc3)cc21.
What is the InChIKey of 6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The InChIKey is AHYBUDNXNREQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-15(2)33(31,32)30-20-14-18(8-9-19(20)27-24(30)25)22-21(16-6-4-3-5-7-16)28-23(29-22)17-10-12-26-13-11-17/h3-9,14-15,17,26H,10-13H2,1-2H3,(H2,25,27)(H,28,29).
What are the key properties of 6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine?
6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine has a molecular weight of 464.60 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-phenyl-2-piperidin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine is sourced from PubChem (CID 11225063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).