N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide

C25H19N3O4S — CID 154834472

IUPACN-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide
SMILESO=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C25H19N3O4S/c29-23-17-6-1-2-7-21(17)33(31,32)22-12-15(8-10-18(22)23)25(30)26-16-9-11-19-20(13-16)28-24(27-19)14-4-3-5-14/h1-2,6-14H,3-5H2,(H,26,30)(H,27,28)
InChIKeyIWWRITSGIHVLBE-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.46
Rot. Bonds3

About N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide

N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide (PubChem CID 154834472) has the molecular formula C25H19N3O4S and a molecular weight of 457.51 g/mol. Its IUPAC name is N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide
PubChem CID154834472
Molecular FormulaC25H19N3O4S
Molecular Weight457.51 g/mol
Exact Mass457.11
IUPAC NameN-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide
SMILESO=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C25H19N3O4S/c29-23-17-6-1-2-7-21(17)33(31,32)22-12-15(8-10-18(22)23)25(30)26-16-9-11-19-20(13-16)28-24(27-19)14-4-3-5-14/h1-2,6-14H,3-5H2,(H,26,30)(H,27,28)
InChIKeyIWWRITSGIHVLBE-UHFFFAOYSA-N
XLogP4.46
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide 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

N-(2-cyclobutyl-3H-benzimidazol-5-yl)furan-3-carboxamide
CID 52827537
6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 60613227
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779436
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-2-carboxamide
CID 110793292
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60613246
2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid
CID 119183366
9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide
CID 166227055
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine
CID 118096520
N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 7962238
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide
CID 118096524
N-cycloheptyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 2409921
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide?
The IUPAC name of N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide (CID 154834472) is N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide.
What is the SMILES notation for N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide?
The canonical SMILES for N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide is O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O.
What is the InChIKey of N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide?
The InChIKey is IWWRITSGIHVLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4S/c29-23-17-6-1-2-7-21(17)33(31,32)22-12-15(8-10-18(22)23)25(30)26-16-9-11-19-20(13-16)28-24(27-19)14-4-3-5-14/h1-2,6-14H,3-5H2,(H,26,30)(H,27,28).
What are the key properties of N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide?
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide is sourced from PubChem (CID 154834472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).