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

C18H17ClN4O2S — CID 155566854

IUPAC4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride
SMILESCc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.Cl
InChIInChI=1S/C18H16N4O2S.ClH/c1-12-17(21-18(19)20-12)15-11-22(16-10-6-5-9-14(15)16)25(23,24)13-7-3-2-4-8-13;/h2-11H,1H3,(H3,19,20,21);1H
InChIKeySTZUMLRYDHMVFY-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.58
Rot. Bonds3

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

4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride (PubChem CID 155566854) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride
PubChem CID155566854
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC Name4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride
SMILESCc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.Cl
InChIInChI=1S/C18H16N4O2S.ClH/c1-12-17(21-18(19)20-12)15-11-22(16-10-6-5-9-14(15)16)25(23,24)13-7-3-2-4-8-13;/h2-11H,1H3,(H3,19,20,21);1H
InChIKeySTZUMLRYDHMVFY-UHFFFAOYSA-N
XLogP3.58
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride (CID 155566854) is 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride is Cc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.Cl.
What is the InChIKey of 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride?
The InChIKey is STZUMLRYDHMVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S.ClH/c1-12-17(21-18(19)20-12)15-11-22(16-10-6-5-9-14(15)16)25(23,24)13-7-3-2-4-8-13;/h2-11H,1H3,(H3,19,20,21);1H.
What are the key properties of 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride?
4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride has a molecular weight of 388.88 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 155566854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).