3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide

C25H19ClN4O3S — CID 18315545

IUPAC3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NS(=O)(=O)c3cccc4cccnc34)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C25H19ClN4O3S/c1-16-28-21-12-11-18(14-22(21)30(16)15-19-6-2-3-9-20(19)26)25(31)29-34(32,33)23-10-4-7-17-8-5-13-27-24(17)23/h2-14H,15H2,1H3,(H,29,31)
InChIKeyWHIBSASJRUABIG-UHFFFAOYSA-N
MW490.97 g/mol
LogP4.71
Rot. Bonds5

About 3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide

3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide (PubChem CID 18315545) has the molecular formula C25H19ClN4O3S and a molecular weight of 490.97 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide
PubChem CID18315545
Molecular FormulaC25H19ClN4O3S
Molecular Weight490.97 g/mol
Exact Mass490.09
IUPAC Name3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NS(=O)(=O)c3cccc4cccnc34)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C25H19ClN4O3S/c1-16-28-21-12-11-18(14-22(21)30(16)15-19-6-2-3-9-20(19)26)25(31)29-34(32,33)23-10-4-7-17-8-5-13-27-24(17)23/h2-14H,15H2,1H3,(H,29,31)
InChIKeyWHIBSASJRUABIG-UHFFFAOYSA-N
XLogP4.71
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

sodium N-(4-tert-butylphenyl)sulfonyl-3-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18680953
3-[(2-chlorophenyl)methyl]-2-methyl-N-(3-trimethylsilylpropylsulfonyl)benzimidazole-5-carboxamide
CID 18680934
3-[[2-chloro-4-(2-phenylethenyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 54153744
3-[(2-chloro-4-phenylphenyl)methyl]-2-methyl-N-(1-phenylethenylsulfonyl)benzimidazole-5-carboxamide
CID 18467639
3-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 18467579
3-[(2-chloro-4-propoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 22508787
N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide
CID 18681167
3-[(4-bromo-2-chlorophenyl)methyl]-N-(4-ethenylphenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide
CID 18467524
3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)benzimidazole-5-carboxamide
CID 22508677
potassium N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide
CID 23717741
1-[(2-chlorophenyl)methyl]-6-[2-methoxyethyl(sulfino)carbamoyl]-2-methylbenzimidazole
CID 66925954
3-[(4-bromo-2-chlorophenyl)methyl]-2-methyl-N-[(E)-pent-1-enyl]sulfonylbenzimidazole-5-carboxamide
CID 11306802

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide (CID 18315545) is 3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)NS(=O)(=O)c3cccc4cccnc34)cc2n1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide?
The InChIKey is WHIBSASJRUABIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O3S/c1-16-28-21-12-11-18(14-22(21)30(16)15-19-6-2-3-9-20(19)26)25(31)29-34(32,33)23-10-4-7-17-8-5-13-27-24(17)23/h2-14H,15H2,1H3,(H,29,31).
What are the key properties of 3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide?
3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide has a molecular weight of 490.97 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide is sourced from PubChem (CID 18315545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).