5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride

C22H19ClN4O2S — CID 155534794

IUPAC5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride
SMILESCc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2cccc3ccccc23)c2ccccc12.Cl
InChIInChI=1S/C22H18N4O2S.ClH/c1-14-21(25-22(23)24-14)18-13-26(19-11-5-4-10-17(18)19)29(27,28)20-12-6-8-15-7-2-3-9-16(15)20;/h2-13H,1H3,(H3,23,24,25);1H
InChIKeyNGGMVVFXCYBTPP-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.73
Rot. Bonds3

About 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride

5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride (PubChem CID 155534794) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride
PubChem CID155534794
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC Name5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride
SMILESCc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2cccc3ccccc23)c2ccccc12.Cl
InChIInChI=1S/C22H18N4O2S.ClH/c1-14-21(25-22(23)24-14)18-13-26(19-11-5-4-10-17(18)19)29(27,28)20-12-6-8-15-7-2-3-9-16(15)20;/h2-13H,1H3,(H3,23,24,25);1H
InChIKeyNGGMVVFXCYBTPP-UHFFFAOYSA-N
XLogP4.73
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-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

Related Compounds

2-{2-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 15646686
1-(3H-Imidazol-4-ylmethyl)-4-(naphthalene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
CID 10549950
4-[5-(Isoquinoline-5-sulfonylamino)-1-methyl-1H-benzoimidazol-2-ylmethyl]-benzamidine
CID 10961694
Monodansyl-Histamin
CID 14428544
1-Naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469252
N-methyl-N-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537113
2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide
CID 90313315
N-tert-butyl-2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]benzenesulfonamide
CID 90313482
N,N-diethyl-2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]benzenesulfonamide
CID 90314724
3-{4-[(E)-2-(1H-Benzoimidazol-2-yl)-2-cyano-vinyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-dimethyl-benzenesulfonamide
CID 5917611
1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylsulfonyl-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 44265273
(3R)-1-(1-methylsulfonylpiperidin-4-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 70684550

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride (CID 155534794) is 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride is Cc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2cccc3ccccc23)c2ccccc12.Cl.
What is the InChIKey of 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride?
The InChIKey is NGGMVVFXCYBTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S.ClH/c1-14-21(25-22(23)24-14)18-13-26(19-11-5-4-10-17(18)19)29(27,28)20-12-6-8-15-7-2-3-9-16(15)20;/h2-13H,1H3,(H3,23,24,25);1H.
What are the key properties of 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride?
5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride has a molecular weight of 438.94 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 155534794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).