1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole

C14H15N3O2S — CID 110539127

IUPAC1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole
SMILESCc1c(-c2nccn2S(C)(=O)=O)c2ccccc2n1C
InChIInChI=1S/C14H15N3O2S/c1-10-13(11-6-4-5-7-12(11)16(10)2)14-15-8-9-17(14)20(3,18)19/h4-9H,1-3H3
InChIKeyRHBBNUYWEPDXPF-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.16
Rot. Bonds2

About 1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole

1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole (PubChem CID 110539127) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole.

Molecular Properties

Compound Name1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole
PubChem CID110539127
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole
SMILESCc1c(-c2nccn2S(C)(=O)=O)c2ccccc2n1C
InChIInChI=1S/C14H15N3O2S/c1-10-13(11-6-4-5-7-12(11)16(10)2)14-15-8-9-17(14)20(3,18)19/h4-9H,1-3H3
InChIKeyRHBBNUYWEPDXPF-UHFFFAOYSA-N
XLogP2.16
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole
CID 110535784
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole
CID 110539041
1,2-dimethylindole-3-sulfonyl fluoride
CID 82287934
6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione
CID 22461862
4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine
CID 82292204
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine
CID 82287964
[2-(1,2-dimethylindol-3-yl)phenyl]methanol
CID 143270609
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide
CID 126797835
4-(1-methylsulfonylimidazol-2-yl)benzoic acid
CID 110539899
4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 82299508

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole?
The IUPAC name of 1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole (CID 110539127) is 1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole.
What is the SMILES notation for 1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole?
The canonical SMILES for 1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole is Cc1c(-c2nccn2S(C)(=O)=O)c2ccccc2n1C.
What is the InChIKey of 1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole?
The InChIKey is RHBBNUYWEPDXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-13(11-6-4-5-7-12(11)16(10)2)14-15-8-9-17(14)20(3,18)19/h4-9H,1-3H3.
What are the key properties of 1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole?
1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole has a molecular weight of 289.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole is sourced from PubChem (CID 110539127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).