1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one

C24H29F3N4O2 — CID 135243021

IUPAC1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one
SMILESCC(=O)N1CC2(C1)C(=O)N(CC1=NC3CCCCC3N1CCCC(F)(F)F)c1ccccc12
InChIInChI=1S/C24H29F3N4O2/c1-16(32)29-14-23(15-29)17-7-2-4-9-19(17)31(22(23)33)13-21-28-18-8-3-5-10-20(18)30(21)12-6-11-24(25,26)27/h2,4,7,9,18,20H,3,5-6,8,10-15H2,1H3
InChIKeyMFTYBJNJBOTVGM-UHFFFAOYSA-N
MW462.52 g/mol
LogP3.50
Rot. Bonds5

About 1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one

1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one (PubChem CID 135243021) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one
PubChem CID135243021
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC Name1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one
SMILESCC(=O)N1CC2(C1)C(=O)N(CC1=NC3CCCCC3N1CCCC(F)(F)F)c1ccccc12
InChIInChI=1S/C24H29F3N4O2/c1-16(32)29-14-23(15-29)17-7-2-4-9-19(17)31(22(23)33)13-21-28-18-8-3-5-10-20(18)30(21)12-6-11-24(25,26)27/h2,4,7,9,18,20H,3,5-6,8,10-15H2,1H3
InChIKeyMFTYBJNJBOTVGM-UHFFFAOYSA-N
XLogP3.50
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methylsulfonyl-1'-[[3-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one
CID 122610655
1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 157033735
propan-2-yl 1'-[(1-butyl-7-hydroxy-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;propan-2-yl 1'-[(4-hydroxy-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;propan-2-yl 1'-[[7-hydroxy-1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;propan-2-yl 2'-oxo-1'-[(4-oxo-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]spiro[azetidine-3,3'-indole]-1-carboxylate
CID 158282451
2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70736858
1-(2-cyclopentylbutanoyl)-1'-[2-(2-methylcyclohexen-1-yl)iminopropyl]spiro[azetidine-3,3'-indole]-2'-one
CID 144858676
1'-acetyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71571062
propan-2-yl 5'-bromo-2'-oxo-1'-[[1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-1-carboxylate
CID 122610666
propan-2-yl 5'-bromo-1'-[[5-methyl-1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate
CID 118155223
propan-2-yl 5'-chloro-1'-[[5-methyl-1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate
CID 139499902
1-butanoyl-1'-[[1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 139499967
1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 155834622
1'-(cyclopentanecarbonyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177159

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one?
The IUPAC name of 1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one (CID 135243021) is 1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one.
What is the SMILES notation for 1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one?
The canonical SMILES for 1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one is CC(=O)N1CC2(C1)C(=O)N(CC1=NC3CCCCC3N1CCCC(F)(F)F)c1ccccc12.
What is the InChIKey of 1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one?
The InChIKey is MFTYBJNJBOTVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-16(32)29-14-23(15-29)17-7-2-4-9-19(17)31(22(23)33)13-21-28-18-8-3-5-10-20(18)30(21)12-6-11-24(25,26)27/h2,4,7,9,18,20H,3,5-6,8,10-15H2,1H3.
What are the key properties of 1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one?
1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one has a molecular weight of 462.52 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-1'-[[1-(4,4,4-trifluorobutyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one is sourced from PubChem (CID 135243021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).