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

C19H19ClN4O2S — CID 155534152

IUPAC4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
SMILESCCc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.Cl
InChIInChI=1S/C19H18N4O2S.ClH/c1-2-16-18(22-19(20)21-16)15-12-23(17-11-7-6-10-14(15)17)26(24,25)13-8-4-3-5-9-13;/h3-12H,2H2,1H3,(H3,20,21,22);1H
InChIKeyCHDARNNFQGZMGX-UHFFFAOYSA-N
MW402.91 g/mol
LogP3.83
Rot. Bonds4

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

4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride (PubChem CID 155534152) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
PubChem CID155534152
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC Name4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
SMILESCCc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.Cl
InChIInChI=1S/C19H18N4O2S.ClH/c1-2-16-18(22-19(20)21-16)15-12-23(17-11-7-6-10-14(15)17)26(24,25)13-8-4-3-5-9-13;/h3-12H,2H2,1H3,(H3,20,21,22);1H
InChIKeyCHDARNNFQGZMGX-UHFFFAOYSA-N
XLogP3.83
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride (CID 155534152) is 4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride is CCc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.Cl.
What is the InChIKey of 4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride?
The InChIKey is CHDARNNFQGZMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S.ClH/c1-2-16-18(22-19(20)21-16)15-12-23(17-11-7-6-10-14(15)17)26(24,25)13-8-4-3-5-9-13;/h3-12H,2H2,1H3,(H3,20,21,22);1H.
What are the key properties of 4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride?
4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride has a molecular weight of 402.91 g/mol, XLogP of 3.83, 4 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-ethyl-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 155534152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).