4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride

C20H21ClN4O3S — CID 155540795

IUPAC4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
SMILESCCc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccc(OC)cc12.Cl
InChIInChI=1S/C20H20N4O3S.ClH/c1-3-17-19(23-20(21)22-17)16-12-24(18-10-9-13(27-2)11-15(16)18)28(25,26)14-7-5-4-6-8-14;/h4-12H,3H2,1-2H3,(H3,21,22,23);1H
InChIKeyOJEVJBAXYUQNKN-UHFFFAOYSA-N
MW432.93 g/mol
LogP3.84
Rot. Bonds5

About 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride

4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride (PubChem CID 155540795) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
PubChem CID155540795
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC Name4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
SMILESCCc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccc(OC)cc12.Cl
InChIInChI=1S/C20H20N4O3S.ClH/c1-3-17-19(23-20(21)22-17)16-12-24(18-10-9-13(27-2)11-15(16)18)28(25,26)14-7-5-4-6-8-14;/h4-12H,3H2,1-2H3,(H3,21,22,23);1H
InChIKeyOJEVJBAXYUQNKN-UHFFFAOYSA-N
XLogP3.84
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride (CID 155540795) is 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride is CCc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccc(OC)cc12.Cl.
What is the InChIKey of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride?
The InChIKey is OJEVJBAXYUQNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S.ClH/c1-3-17-19(23-20(21)22-17)16-12-24(18-10-9-13(27-2)11-15(16)18)28(25,26)14-7-5-4-6-8-14;/h4-12H,3H2,1-2H3,(H3,21,22,23);1H.
What are the key properties of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride?
4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride has a molecular weight of 432.93 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 155540795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).