N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide

C24H22ClN3O3S — CID 18681167

IUPACN-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide
SMILESCc1nc2ccc(CCC(=O)NS(=O)(=O)c3ccccc3)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C24H22ClN3O3S/c1-17-26-22-13-11-18(15-23(22)28(17)16-19-7-5-6-10-21(19)25)12-14-24(29)27-32(30,31)20-8-3-2-4-9-20/h2-11,13,15H,12,14,16H2,1H3,(H,27,29)
InChIKeyOJHYSQZNKCFVFS-UHFFFAOYSA-N
MW467.98 g/mol
LogP4.48
Rot. Bonds7

About N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide

N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide (PubChem CID 18681167) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide
PubChem CID18681167
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC NameN-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide
SMILESCc1nc2ccc(CCC(=O)NS(=O)(=O)c3ccccc3)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C24H22ClN3O3S/c1-17-26-22-13-11-18(15-23(22)28(17)16-19-7-5-6-10-21(19)25)12-14-24(29)27-32(30,31)20-8-3-2-4-9-20/h2-11,13,15H,12,14,16H2,1H3,(H,27,29)
InChIKeyOJHYSQZNKCFVFS-UHFFFAOYSA-N
XLogP4.48
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

sodium N-(4-tert-butylphenyl)sulfonyl-3-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18680953
N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide
CID 54283070
3-[[2-chloro-4-(2-phenylethenyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 54153744
N-(benzenesulfonyl)-3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388532
potassium N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide
CID 23717741
potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride
CID 173201492
3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide
CID 18680934
3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide
CID 18315545
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
N-(benzenesulfonyl)-3-[(2-chloro-4-nitrophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388457
N-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide
CID 66925981
3-[(2,4-dichlorophenyl)methyl]-N-(4-ethenylphenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide
CID 18467551

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide?
The IUPAC name of N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide (CID 18681167) is N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide?
The canonical SMILES for N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide is Cc1nc2ccc(CCC(=O)NS(=O)(=O)c3ccccc3)cc2n1Cc1ccccc1Cl.
What is the InChIKey of N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide?
The InChIKey is OJHYSQZNKCFVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-17-26-22-13-11-18(15-23(22)28(17)16-19-7-5-6-10-21(19)25)12-14-24(29)27-32(30,31)20-8-3-2-4-9-20/h2-11,13,15H,12,14,16H2,1H3,(H,27,29).
What are the key properties of N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide?
N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide has a molecular weight of 467.98 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide is sourced from PubChem (CID 18681167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).