2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide

C25H29N5O4S — CID 42915515

IUPAC2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
SMILESCCn1c(CN2C(=O)NC3(CCCCc4ccccc43)C2=O)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C25H29N5O4S/c1-4-29-21-13-12-18(35(33,34)28(2)3)15-20(21)26-22(29)16-30-23(31)25(27-24(30)32)14-8-7-10-17-9-5-6-11-19(17)25/h5-6,9,11-13,15H,4,7-8,10,14,16H2,1-3H3,(H,27,32)
InChIKeyGTSOIKJLMHMZEN-UHFFFAOYSA-N
MW495.61 g/mol
LogP2.98
Rot. Bonds5

About 2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide

2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide (PubChem CID 42915515) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
PubChem CID42915515
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
SMILESCCn1c(CN2C(=O)NC3(CCCCc4ccccc43)C2=O)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C25H29N5O4S/c1-4-29-21-13-12-18(35(33,34)28(2)3)15-20(21)26-22(29)16-30-23(31)25(27-24(30)32)14-8-7-10-17-9-5-6-11-19(17)25/h5-6,9,11-13,15H,4,7-8,10,14,16H2,1-3H3,(H,27,32)
InChIKeyGTSOIKJLMHMZEN-UHFFFAOYSA-N
XLogP2.98
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide 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-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide
CID 55356946
N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
CID 41209061
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 40786869
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 55533205
2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 30235638
1-ethyl-N,N-dimethyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide
CID 112801352
3'-[(4-tert-butylphenyl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 18228444
3'-[(4-bromophenyl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 42964276
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 43028538
(4S)-3'-[(3,4-dichlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2102939
2-[[1-adamantylmethyl(methyl)amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 26570647
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140

Frequently Asked Questions

What is the IUPAC name of 2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide?
The IUPAC name of 2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide (CID 42915515) is 2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide?
The canonical SMILES for 2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide is CCn1c(CN2C(=O)NC3(CCCCc4ccccc43)C2=O)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide?
The InChIKey is GTSOIKJLMHMZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-4-29-21-13-12-18(35(33,34)28(2)3)15-20(21)26-22(29)16-30-23(31)25(27-24(30)32)14-8-7-10-17-9-5-6-11-19(17)25/h5-6,9,11-13,15H,4,7-8,10,14,16H2,1-3H3,(H,27,32).
What are the key properties of 2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide?
2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide has a molecular weight of 495.61 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 42915515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).