2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid

C15H19N3O2S — CID 115378965

IUPAC2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid
SMILESCc1ccc(-n2c(C)cnc2SCC(=O)O)cc1N(C)C
InChIInChI=1S/C15H19N3O2S/c1-10-5-6-12(7-13(10)17(3)4)18-11(2)8-16-15(18)21-9-14(19)20/h5-8H,9H2,1-4H3,(H,19,20)
InChIKeyDNHHLMYQACLTGP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.73
Rot. Bonds5

About 2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid

2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid (PubChem CID 115378965) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid
PubChem CID115378965
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid
SMILESCc1ccc(-n2c(C)cnc2SCC(=O)O)cc1N(C)C
InChIInChI=1S/C15H19N3O2S/c1-10-5-6-12(7-13(10)17(3)4)18-11(2)8-16-15(18)21-9-14(19)20/h5-8H,9H2,1-4H3,(H,19,20)
InChIKeyDNHHLMYQACLTGP-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid 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

2-[1-(4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81337040
2-[1-[3-(dimethylamino)-4-methylphenyl]-4-methylimidazol-2-yl]sulfanylacetic acid
CID 115378966
2-[1-(3-methoxyphenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81336440
2-[1-(4-cyanophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81337294
2-[1-(3-cyano-4-fluorophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81336738
2-[1-(3,4-dimethylphenyl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid
CID 64864737
2-[1-(4-bromo-2,6-dimethylphenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81343801
2-[1-(4-fluoro-2-methylphenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81336427
2-[5-methyl-1-(2,4,6-tribromophenyl)imidazol-2-yl]sulfanylacetic acid
CID 81337115
2-[5-methyl-1-(2,4,5-trichlorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 81337282
2-[1-(2,4-dibromophenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81337652
2-[1-[4-(dimethylamino)phenyl]-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81344552

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid (CID 115378965) is 2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid is Cc1ccc(-n2c(C)cnc2SCC(=O)O)cc1N(C)C.
What is the InChIKey of 2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid?
The InChIKey is DNHHLMYQACLTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-5-6-12(7-13(10)17(3)4)18-11(2)8-16-15(18)21-9-14(19)20/h5-8H,9H2,1-4H3,(H,19,20).
What are the key properties of 2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid?
2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid has a molecular weight of 305.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(dimethylamino)-4-methylphenyl]-5-methylimidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 115378965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).