8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline

C24H25F2N5O2S — CID 43074728

IUPAC8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(C)c4nc5ccccc5n4C(F)F)CC3)cccc2c1
InChIInChI=1S/C24H25F2N5O2S/c1-16-14-18-6-5-9-21(22(18)27-15-16)34(32,33)30-12-10-29(11-13-30)17(2)23-28-19-7-3-4-8-20(19)31(23)24(25)26/h3-9,14-15,17,24H,10-13H2,1-2H3
InChIKeyDYXRJUQHRWGNGH-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.36
Rot. Bonds5

About 8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline

8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline (PubChem CID 43074728) has the molecular formula C24H25F2N5O2S and a molecular weight of 485.56 g/mol. Its IUPAC name is 8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline.

Molecular Properties

Compound Name8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline
PubChem CID43074728
Molecular FormulaC24H25F2N5O2S
Molecular Weight485.56 g/mol
Exact Mass485.17
IUPAC Name8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(C)c4nc5ccccc5n4C(F)F)CC3)cccc2c1
InChIInChI=1S/C24H25F2N5O2S/c1-16-14-18-6-5-9-21(22(18)27-15-16)34(32,33)30-12-10-29(11-13-30)17(2)23-28-19-7-3-4-8-20(19)31(23)24(25)26/h3-9,14-15,17,24H,10-13H2,1-2H3
InChIKeyDYXRJUQHRWGNGH-UHFFFAOYSA-N
XLogP4.36
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline 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 8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline?
The IUPAC name of 8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline (CID 43074728) is 8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline.
What is the SMILES notation for 8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline?
The canonical SMILES for 8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline is Cc1cnc2c(S(=O)(=O)N3CCN(C(C)c4nc5ccccc5n4C(F)F)CC3)cccc2c1.
What is the InChIKey of 8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline?
The InChIKey is DYXRJUQHRWGNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O2S/c1-16-14-18-6-5-9-21(22(18)27-15-16)34(32,33)30-12-10-29(11-13-30)17(2)23-28-19-7-3-4-8-20(19)31(23)24(25)26/h3-9,14-15,17,24H,10-13H2,1-2H3.
What are the key properties of 8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline?
8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline has a molecular weight of 485.56 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]sulfonyl-3-methylquinoline is sourced from PubChem (CID 43074728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).