3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide

C22H28ClN3O3SSi — CID 18680934

IUPAC3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NS(=O)(=O)CCC[Si](C)(C)C)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C22H28ClN3O3SSi/c1-16-24-20-11-10-17(22(27)25-30(28,29)12-7-13-31(2,3)4)14-21(20)26(16)15-18-8-5-6-9-19(18)23/h5-6,8-11,14H,7,12-13,15H2,1-4H3,(H,25,27)
InChIKeyDVFAZZSJZXADNZ-UHFFFAOYSA-N
MW478.09 g/mol
LogP4.83
Rot. Bonds8

About 3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide

3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide (PubChem CID 18680934) has the molecular formula C22H28ClN3O3SSi and a molecular weight of 478.09 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide
PubChem CID18680934
Molecular FormulaC22H28ClN3O3SSi
Molecular Weight478.09 g/mol
Exact Mass477.13
IUPAC Name3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NS(=O)(=O)CCC[Si](C)(C)C)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C22H28ClN3O3SSi/c1-16-24-20-11-10-17(22(27)25-30(28,29)12-7-13-31(2,3)4)14-21(20)26(16)15-18-8-5-6-9-19(18)23/h5-6,8-11,14H,7,12-13,15H2,1-4H3,(H,25,27)
InChIKeyDVFAZZSJZXADNZ-UHFFFAOYSA-N
XLogP4.83
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.09
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

sodium N-(4-tert-butylphenyl)sulfonyl-3-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18680953
3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide
CID 18467577
3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide
CID 18467618
3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide
CID 18315545
2-methyl-3-[(1-methylnaphthalen-2-yl)methyl]-N-pentylsulfonylbenzimidazole-5-carboxamide
CID 163791443
N-(butylsulfamoyl)-3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18467562
3-[(2-chloro-4-phenylphenyl)methyl]-2-methyl-N-(1-phenylethenylsulfonyl)benzimidazole-5-carboxamide
CID 18467639
3-[[2-chloro-4-(2-phenylethenyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 54153744
1-[(2-chlorophenyl)methyl]-6-[2-methoxyethyl(sulfino)carbamoyl]-2-methylbenzimidazole
CID 66925954
3-[(2,4-dichlorophenyl)methyl]-N-(4-ethenylphenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide
CID 18467551
3-[(4-bromo-2-chlorophenyl)methyl]-2-methyl-N-[(E)-pent-1-enyl]sulfonylbenzimidazole-5-carboxamide
CID 11306802
3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylbenzimidazole-5-carboxamide
CID 22508672

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide (CID 18680934) is 3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)NS(=O)(=O)CCC[Si](C)(C)C)cc2n1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide?
The InChIKey is DVFAZZSJZXADNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3SSi/c1-16-24-20-11-10-17(22(27)25-30(28,29)12-7-13-31(2,3)4)14-21(20)26(16)15-18-8-5-6-9-19(18)23/h5-6,8-11,14H,7,12-13,15H2,1-4H3,(H,25,27).
What are the key properties of 3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide?
3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide has a molecular weight of 478.09 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 18680934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).