1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine

C24H21FN4O2S — CID 118382720

IUPAC1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)cc2[nH]1
InChIInChI=1S/C24H21FN4O2S/c1-28(2)15-24-26-21-11-8-16(12-22(21)27-24)20-14-29(23-13-17(25)9-10-19(20)23)32(30,31)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyRFZSKSPHCSMTSQ-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.62
Rot. Bonds5

About 1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine

1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine (PubChem CID 118382720) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine
PubChem CID118382720
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC Name1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)cc2[nH]1
InChIInChI=1S/C24H21FN4O2S/c1-28(2)15-24-26-21-11-8-16(12-22(21)27-24)20-14-29(23-13-17(25)9-10-19(20)23)32(30,31)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyRFZSKSPHCSMTSQ-UHFFFAOYSA-N
XLogP4.62
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine (CID 118382720) is 1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1nc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)cc2[nH]1.
What is the InChIKey of 1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine?
The InChIKey is RFZSKSPHCSMTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c1-28(2)15-24-26-21-11-8-16(12-22(21)27-24)20-14-29(23-13-17(25)9-10-19(20)23)32(30,31)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,26,27).
What are the key properties of 1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine?
1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine has a molecular weight of 448.52 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 118382720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).