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

C19H19ClN4O3S — CID 155560942

IUPAC4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride
SMILESCOc1ccc2c(c1)c(-c1nc(N)[nH]c1C)cn2S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C19H18N4O3S.ClH/c1-12-18(22-19(20)21-12)16-11-23(17-9-8-13(26-2)10-15(16)17)27(24,25)14-6-4-3-5-7-14;/h3-11H,1-2H3,(H3,20,21,22);1H
InChIKeyCZBLATKIFSJNLH-UHFFFAOYSA-N
MW418.91 g/mol
LogP3.59
Rot. Bonds4

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

4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride (PubChem CID 155560942) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride
PubChem CID155560942
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride
SMILESCOc1ccc2c(c1)c(-c1nc(N)[nH]c1C)cn2S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C19H18N4O3S.ClH/c1-12-18(22-19(20)21-12)16-11-23(17-9-8-13(26-2)10-15(16)17)27(24,25)14-6-4-3-5-7-14;/h3-11H,1-2H3,(H3,20,21,22);1H
InChIKeyCZBLATKIFSJNLH-UHFFFAOYSA-N
XLogP3.59
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.59
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-methyl-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride (CID 155560942) is 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride is COc1ccc2c(c1)c(-c1nc(N)[nH]c1C)cn2S(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride?
The InChIKey is CZBLATKIFSJNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S.ClH/c1-12-18(22-19(20)21-12)16-11-23(17-9-8-13(26-2)10-15(16)17)27(24,25)14-6-4-3-5-7-14;/h3-11H,1-2H3,(H3,20,21,22);1H.
What are the key properties of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride?
4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride has a molecular weight of 418.91 g/mol, XLogP of 3.59, 4 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-methyl-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 155560942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).