5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one

C15H15N3O3S — CID 110724108

IUPAC5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one
SMILESCc1ccc(C)c(S(=O)(=O)n2c(=O)[nH]c3ccc(N)cc32)c1
InChIInChI=1S/C15H15N3O3S/c1-9-3-4-10(2)14(7-9)22(20,21)18-13-8-11(16)5-6-12(13)17-15(18)19/h3-8H,16H2,1-2H3,(H,17,19)
InChIKeyRYTIVAQDCYMHKC-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.77
Rot. Bonds2

About 5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one

5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one (PubChem CID 110724108) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one
PubChem CID110724108
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one
SMILESCc1ccc(C)c(S(=O)(=O)n2c(=O)[nH]c3ccc(N)cc32)c1
InChIInChI=1S/C15H15N3O3S/c1-9-3-4-10(2)14(7-9)22(20,21)18-13-8-11(16)5-6-12(13)17-15(18)19/h3-8H,16H2,1-2H3,(H,17,19)
InChIKeyRYTIVAQDCYMHKC-UHFFFAOYSA-N
XLogP1.77
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(4-methylphenyl)sulfonyl-1H-benzimidazol-2-one
CID 110724096
5-amino-3-(3,4-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one
CID 110724104
6-amino-3-(2-methoxy-5-methylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one
CID 110867400
5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one
CID 110724159
5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one
CID 110724212
5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one
CID 110491624
1-(2,5-dimethylphenyl)sulfonylpyrrole
CID 22200809
2-[(5-amino-6-methyl-2-oxo-3H-benzimidazol-1-yl)sulfonyl]benzonitrile
CID 110867465
3-tert-butyl-5-methyl-1H-benzimidazol-2-one
CID 117208328
(4-aminophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119678550
1-(2,5-dimethylphenyl)sulfonyl-1,4,7-triazonane
CID 175127443
1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
CID 119961871

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one?
The IUPAC name of 5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one (CID 110724108) is 5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one?
The canonical SMILES for 5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one is Cc1ccc(C)c(S(=O)(=O)n2c(=O)[nH]c3ccc(N)cc32)c1.
What is the InChIKey of 5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one?
The InChIKey is RYTIVAQDCYMHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-3-4-10(2)14(7-9)22(20,21)18-13-8-11(16)5-6-12(13)17-15(18)19/h3-8H,16H2,1-2H3,(H,17,19).
What are the key properties of 5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one?
5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one has a molecular weight of 317.37 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one is sourced from PubChem (CID 110724108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).