5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C26H25ClN4O2S — CID 58318019

IUPAC5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCNS(=O)(=O)N1CCc2c(Cc3ccc(Cl)c(-c4ncc(-c5ccccc5)[nH]4)c3)cccc2C1
InChIInChI=1S/C26H25ClN4O2S/c1-28-34(32,33)31-13-12-22-20(8-5-9-21(22)17-31)14-18-10-11-24(27)23(15-18)26-29-16-25(30-26)19-6-3-2-4-7-19/h2-11,15-16,28H,12-14,17H2,1H3,(H,29,30)
InChIKeyNBIVFHXDHYFPMC-UHFFFAOYSA-N
MW493.03 g/mol
LogP4.81
Rot. Bonds6

About 5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 58318019) has the molecular formula C26H25ClN4O2S and a molecular weight of 493.03 g/mol. Its IUPAC name is 5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID58318019
Molecular FormulaC26H25ClN4O2S
Molecular Weight493.03 g/mol
Exact Mass492.14
IUPAC Name5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCNS(=O)(=O)N1CCc2c(Cc3ccc(Cl)c(-c4ncc(-c5ccccc5)[nH]4)c3)cccc2C1
InChIInChI=1S/C26H25ClN4O2S/c1-28-34(32,33)31-13-12-22-20(8-5-9-21(22)17-31)14-18-10-11-24(27)23(15-18)26-29-16-25(30-26)19-6-3-2-4-7-19/h2-11,15-16,28H,12-14,17H2,1H3,(H,29,30)
InChIKeyNBIVFHXDHYFPMC-UHFFFAOYSA-N
XLogP4.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.03
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide with MolForge

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Related Compounds

BU-E 47
CID 14660352
Imidazole derivative 8
CID 54670731
4-[5-(4-tert-Butyl-phenyl)-2-(4-chloro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 9843239
3-(4-Chloro-phenyl)-N-[2-(1H-imidazol-4-yl)-ethyl]-3-pyridin-2-yl-propionamidine
CID 9924710
[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-[4-(1H-imidazol-4-yl)-butyl]-amine
CID 9947477
N-[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-4-(1H-imidazol-4-yl)-butyramidine
CID 10156707
[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-[3-(1H-imidazol-4-yl)-propyl]-methyl-amine
CID 10177103
[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-[4-(1H-imidazol-4-yl)-butyl]-methyl-amine
CID 10177985
4-[2,5-Bis-(4-chloro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 10338890
4-(4-(4-chlorophenyl)-2-phenyl-1H-imidazol-5-yl)pyridine
CID 10664282
1-[3-(2-chlorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660365
1-[3-(2,4-dichlorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660372

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of 5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 58318019) is 5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for 5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for 5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CNS(=O)(=O)N1CCc2c(Cc3ccc(Cl)c(-c4ncc(-c5ccccc5)[nH]4)c3)cccc2C1.
What is the InChIKey of 5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is NBIVFHXDHYFPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2S/c1-28-34(32,33)31-13-12-22-20(8-5-9-21(22)17-31)14-18-10-11-24(27)23(15-18)26-29-16-25(30-26)19-6-3-2-4-7-19/h2-11,15-16,28H,12-14,17H2,1H3,(H,29,30).
What are the key properties of 5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 493.03 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 58318019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).