N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide

C24H25N3O3S — CID 3993407

IUPACN,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc(-c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C24H25N3O3S/c1-3-27(4-2)31(28,29)21-14-15-22-23(16-21)26-24(25-22)17-30-20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-16H,3-4,17H2,1-2H3,(H,25,26)
InChIKeyFLFIMUOXCGOCOP-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.84
Rot. Bonds8

About N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide

N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide (PubChem CID 3993407) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide
PubChem CID3993407
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc(-c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C24H25N3O3S/c1-3-27(4-2)31(28,29)21-14-15-22-23(16-21)26-24(25-22)17-30-20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-16H,3-4,17H2,1-2H3,(H,25,26)
InChIKeyFLFIMUOXCGOCOP-UHFFFAOYSA-N
XLogP4.84
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 24958354
2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
CID 15995775
2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 45259137
2-[(4-methylphenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
CID 84756425
2-[(4-bromophenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 24957598
2-[(4-tert-butylphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 24958351
4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide
CID 101078161
4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzoic acid
CID 69080781
2-[(4-ethoxyphenoxy)methyl]-3H-benzimidazole-5-carbaldehyde
CID 84756475
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3H-benzimidazole-5-sulfonamide
CID 35590520
methyl 3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzoate
CID 69089344

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide (CID 3993407) is N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc(-c4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide?
The InChIKey is FLFIMUOXCGOCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-3-27(4-2)31(28,29)21-14-15-22-23(16-21)26-24(25-22)17-30-20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-16H,3-4,17H2,1-2H3,(H,25,26).
What are the key properties of N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide?
N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide has a molecular weight of 435.55 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 3993407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).