1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine

C13H16N4O2S — CID 63977911

IUPAC1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C13H16N4O2S/c1-9-7-10-5-3-4-6-11(10)17(9)20(18,19)13-12(14)15-8-16(13)2/h3-6,8-9H,7,14H2,1-2H3
InChIKeyFMPLARLDUKDBCR-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.14
Rot. Bonds2

About 1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine

1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine (PubChem CID 63977911) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine
PubChem CID63977911
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C13H16N4O2S/c1-9-7-10-5-3-4-6-11(10)17(9)20(18,19)13-12(14)15-8-16(13)2/h3-6,8-9H,7,14H2,1-2H3
InChIKeyFMPLARLDUKDBCR-UHFFFAOYSA-N
XLogP1.14
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole
CID 20958624
3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 43452427
4-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-thiazol-2-amine
CID 63945978
1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine
CID 114542823
1-(2,6-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 42994759
[2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]hydrazine
CID 43454884
2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 82845026
2-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 2943362
5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide
CID 107213629
(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
CID 1034220
6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione
CID 6624083
(2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole
CID 27332586

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine?
The IUPAC name of 1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine (CID 63977911) is 1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine.
What is the SMILES notation for 1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine?
The canonical SMILES for 1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine is CC1Cc2ccccc2N1S(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine?
The InChIKey is FMPLARLDUKDBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-7-10-5-3-4-6-11(10)17(9)20(18,19)13-12(14)15-8-16(13)2/h3-6,8-9H,7,14H2,1-2H3.
What are the key properties of 1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine?
1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine has a molecular weight of 292.36 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine is sourced from PubChem (CID 63977911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).