5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one

C16H15N3O3S — CID 110724212

IUPAC5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one
SMILESNc1ccc2[nH]c(=O)n(S(=O)(=O)c3ccc4c(c3)CCC4)c2c1
InChIInChI=1S/C16H15N3O3S/c17-12-5-7-14-15(9-12)19(16(20)18-14)23(21,22)13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3,17H2,(H,18,20)
InChIKeyKSRDOOXFXXMPSK-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.64
Rot. Bonds2

About 5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one

5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one (PubChem CID 110724212) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one
PubChem CID110724212
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one
SMILESNc1ccc2[nH]c(=O)n(S(=O)(=O)c3ccc4c(c3)CCC4)c2c1
InChIInChI=1S/C16H15N3O3S/c17-12-5-7-14-15(9-12)19(16(20)18-14)23(21,22)13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3,17H2,(H,18,20)
InChIKeyKSRDOOXFXXMPSK-UHFFFAOYSA-N
XLogP1.64
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.64
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-(3,4-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one
CID 110724104
5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one
CID 110724159
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113
6-amino-3-(4-propan-2-yloxyphenyl)sulfonyl-1H-benzimidazol-2-one
CID 110724203
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 110721496
(E)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 8641378
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 647028
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 103576458
(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate
CID 6969895
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one (CID 110724212) is 5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one is Nc1ccc2[nH]c(=O)n(S(=O)(=O)c3ccc4c(c3)CCC4)c2c1.
What is the InChIKey of 5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one?
The InChIKey is KSRDOOXFXXMPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c17-12-5-7-14-15(9-12)19(16(20)18-14)23(21,22)13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3,17H2,(H,18,20).
What are the key properties of 5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one?
5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one has a molecular weight of 329.38 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 110724212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).