6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one

C24H26F2N4O3S — CID 146592967

IUPAC6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one
SMILESCS(=O)(=O)CCNCCCn1c(CN2C(=O)C3(CC3)c3ccc(F)cc32)nc2cc(F)ccc21
InChIInChI=1S/C24H26F2N4O3S/c1-34(32,33)12-10-27-9-2-11-29-20-6-4-16(25)13-19(20)28-22(29)15-30-21-14-17(26)3-5-18(21)24(7-8-24)23(30)31/h3-6,13-14,27H,2,7-12,15H2,1H3
InChIKeyHWEJOBUWWSCTLH-UHFFFAOYSA-N
MW488.56 g/mol
LogP2.92
Rot. Bonds9

About 6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one

6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 146592967) has the molecular formula C24H26F2N4O3S and a molecular weight of 488.56 g/mol. Its IUPAC name is 6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID146592967
Molecular FormulaC24H26F2N4O3S
Molecular Weight488.56 g/mol
Exact Mass488.17
IUPAC Name6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one
SMILESCS(=O)(=O)CCNCCCn1c(CN2C(=O)C3(CC3)c3ccc(F)cc32)nc2cc(F)ccc21
InChIInChI=1S/C24H26F2N4O3S/c1-34(32,33)12-10-27-9-2-11-29-20-6-4-16(25)13-19(20)28-22(29)15-30-21-14-17(26)3-5-18(21)24(7-8-24)23(30)31/h3-6,13-14,27H,2,7-12,15H2,1H3
InChIKeyHWEJOBUWWSCTLH-UHFFFAOYSA-N
XLogP2.92
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one (CID 146592967) is 6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one is CS(=O)(=O)CCNCCCn1c(CN2C(=O)C3(CC3)c3ccc(F)cc32)nc2cc(F)ccc21.
What is the InChIKey of 6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is HWEJOBUWWSCTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3S/c1-34(32,33)12-10-27-9-2-11-29-20-6-4-16(25)13-19(20)28-22(29)15-30-21-14-17(26)3-5-18(21)24(7-8-24)23(30)31/h3-6,13-14,27H,2,7-12,15H2,1H3.
What are the key properties of 6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one?
6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 488.56 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-fluoro-1'-[[5-fluoro-1-[3-(2-methylsulfonylethylamino)propyl]benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 146592967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).