2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide

C137H127N29O20S8 — CID 158811782

IUPAC2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
SMILESC=C(N)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.CC(=O)Nc1ccc(CSc2nc3c(C(N)=O)cccc3[nH]2)cc1.COC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(CSc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(CSc2nc3c(C(N)=O)cccc3[nH]2)cc1.NC(=O)c1cccc2[nH]c(CS(=O)(=O)c3ccc(NC(=O)CCc4ccccc4)cc3)nc12.NC(=O)c1cccc2[nH]c(S(=O)(=O)Cc3ccccc3)nc12.NC(=O)c1cccc2[nH]c(SCc3ccccc3)nc12
InChIInChI=1S/C24H22N4O4S.C17H17N5O3S.C17H16N4O5S.C17H16N4O2S.2C16H15N3OS.C15H13N3O3S.C15H13N3OS/c25-24(30)19-7-4-8-20-23(19)28-21(27-20)15-33(31,32)18-12-10-17(11-13-18)26-22(29)14-9-16-5-2-1-3-6-16;1-10(18)20-11-5-7-12(8-6-11)26(24,25)9-15-21-14-4-2-3-13(17(19)23)16(14)22-15;1-26-17(23)19-10-5-7-11(8-6-10)27(24,25)9-14-20-13-4-2-3-12(16(18)22)15(13)21-14;1-10(22)19-12-7-5-11(6-8-12)9-24-17-20-14-4-2-3-13(16(18)23)15(14)21-17;2*1-10-5-7-11(8-6-10)9-21-16-18-13-4-2-3-12(15(17)20)14(13)19-16;16-14(19)11-7-4-8-12-13(11)18-15(17-12)22(20,21)9-10-5-2-1-3-6-10;16-14(19)11-7-4-8-12-13(11)18-15(17-12)20-9-10-5-2-1-3-6-10/h1-8,10-13H,9,14-15H2,(H2,25,30)(H,26,29)(H,27,28);2-8,20H,1,9,18H2,(H2,19,23)(H,21,22);2-8H,9H2,1H3,(H2,18,22)(H,19,23)(H,20,21);2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21);2*2-8H,9H2,1H3,(H2,17,20)(H,18,19);1-8H,9H2,(H2,16,19)(H,17,18);1-8H,9H2,(H2,16,19)(H,17,18)
InChIKeyIUUANFZGVLXSQA-UHFFFAOYSA-N
MW2756.24 g/mol
LogP20.53
Rot. Bonds40

About 2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide

2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide (PubChem CID 158811782) has the molecular formula C137H127N29O20S8 and a molecular weight of 2756.24 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
PubChem CID158811782
Molecular FormulaC137H127N29O20S8
Molecular Weight2756.24 g/mol
Exact Mass2753.76
IUPAC Name2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
SMILESC=C(N)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.CC(=O)Nc1ccc(CSc2nc3c(C(N)=O)cccc3[nH]2)cc1.COC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(CSc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(CSc2nc3c(C(N)=O)cccc3[nH]2)cc1.NC(=O)c1cccc2[nH]c(CS(=O)(=O)c3ccc(NC(=O)CCc4ccccc4)cc3)nc12.NC(=O)c1cccc2[nH]c(S(=O)(=O)Cc3ccccc3)nc12.NC(=O)c1cccc2[nH]c(SCc3ccccc3)nc12
InChIInChI=1S/C24H22N4O4S.C17H17N5O3S.C17H16N4O5S.C17H16N4O2S.2C16H15N3OS.C15H13N3O3S.C15H13N3OS/c25-24(30)19-7-4-8-20-23(19)28-21(27-20)15-33(31,32)18-12-10-17(11-13-18)26-22(29)14-9-16-5-2-1-3-6-16;1-10(18)20-11-5-7-12(8-6-11)26(24,25)9-15-21-14-4-2-3-13(17(19)23)16(14)22-15;1-26-17(23)19-10-5-7-11(8-6-10)27(24,25)9-14-20-13-4-2-3-12(16(18)22)15(13)21-14;1-10(22)19-12-7-5-11(6-8-12)9-24-17-20-14-4-2-3-13(16(18)23)15(14)21-17;2*1-10-5-7-11(8-6-10)9-21-16-18-13-4-2-3-12(15(17)20)14(13)19-16;16-14(19)11-7-4-8-12-13(11)18-15(17-12)22(20,21)9-10-5-2-1-3-6-10;16-14(19)11-7-4-8-12-13(11)18-15(17-12)20-9-10-5-2-1-3-6-10/h1-8,10-13H,9,14-15H2,(H2,25,30)(H,26,29)(H,27,28);2-8,20H,1,9,18H2,(H2,19,23)(H,21,22);2-8H,9H2,1H3,(H2,18,22)(H,19,23)(H,20,21);2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21);2*2-8H,9H2,1H3,(H2,17,20)(H,18,19);1-8H,9H2,(H2,16,19)(H,17,18);1-8H,9H2,(H2,16,19)(H,17,18)
InChIKeyIUUANFZGVLXSQA-UHFFFAOYSA-N
XLogP20.53
TPSA845.30 Ų
H-Bond Donors21
H-Bond Acceptors34
Rotatable Bonds40
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002756.24
LogP ≤ 520.53
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1034

Analyze 2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide with MolForge

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Related Compounds

2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;methane;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;phenyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide)
CID 157110537
benzyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfanyl]phenyl]carbamate;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfanyl]phenyl]carbamate;2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(3-methylpyrrolidin-1-yl)methyl]-1H-benzimidazole-4-carboxamide;2-[[4-(propanoylamino)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide
CID 158134011
2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride
CID 158364047
2-[(4-acetamidophenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(dimethylamino)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-(heptylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1H-benzimidazole-4-carboxamide;tris(2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide);2-[(4-methylsulfanylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide
CID 158939766
2-[[methyl(2-phenylethyl)amino]methyl]-1H-benzimidazole-4-carboxamide;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[[5-(prop-1-en-2-ylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide
CID 159773306
2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-acetamidophenyl)sulfonylmethyl]-1-methylbenzimidazole-4-carboxamide;2-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-1H-benzimidazole-4-carboxamide;2-[2-(butylamino)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide
CID 160015347
2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
CID 160707071
benzyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfanyl]phenyl]carbamate;2-[[4-(dimethylamino)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;methane;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfanyl]phenyl]carbamate;2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylsulfanylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(propanoylamino)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide
CID 160759145
2-(benzylamino)-1H-benzimidazole-4-carboxamide;2-[2-(diethylamino)ethylamino]-1H-benzimidazole-4-carboxamide;2-(dimethylamino)-1H-benzimidazole-4-carboxamide;ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperazine-1-carboxylate;methane;2-(methylamino)-1H-benzimidazole-4-carboxamide;2-methyl-1H-benzimidazole-4-carboxamide;2-[methyl(2-phenylethyl)amino]-1H-benzimidazole-4-carboxamide;2-(4-phenylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(2-thiophen-2-ylethylamino)-1H-benzimidazole-4-carboxamide
CID 160909008
6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole
CID 160981629
2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(butylamino)ethylsulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(heptylsulfonylmethyl)-1H-benzimidazole-4-carboxamide;tetrakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
CID 161931895

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide (CID 158811782) is 2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide is C=C(N)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.CC(=O)Nc1ccc(CSc2nc3c(C(N)=O)cccc3[nH]2)cc1.COC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(CSc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(CSc2nc3c(C(N)=O)cccc3[nH]2)cc1.NC(=O)c1cccc2[nH]c(CS(=O)(=O)c3ccc(NC(=O)CCc4ccccc4)cc3)nc12.NC(=O)c1cccc2[nH]c(S(=O)(=O)Cc3ccccc3)nc12.NC(=O)c1cccc2[nH]c(SCc3ccccc3)nc12.
What is the InChIKey of 2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is IUUANFZGVLXSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S.C17H17N5O3S.C17H16N4O5S.C17H16N4O2S.2C16H15N3OS.C15H13N3O3S.C15H13N3OS/c25-24(30)19-7-4-8-20-23(19)28-21(27-20)15-33(31,32)18-12-10-17(11-13-18)26-22(29)14-9-16-5-2-1-3-6-16;1-10(18)20-11-5-7-12(8-6-11)26(24,25)9-15-21-14-4-2-3-13(17(19)23)16(14)22-15;1-26-17(23)19-10-5-7-11(8-6-10)27(24,25)9-14-20-13-4-2-3-12(16(18)22)15(13)21-14;1-10(22)19-12-7-5-11(6-8-12)9-24-17-20-14-4-2-3-13(16(18)23)15(14)21-17;2*1-10-5-7-11(8-6-10)9-21-16-18-13-4-2-3-12(15(17)20)14(13)19-16;16-14(19)11-7-4-8-12-13(11)18-15(17-12)22(20,21)9-10-5-2-1-3-6-10;16-14(19)11-7-4-8-12-13(11)18-15(17-12)20-9-10-5-2-1-3-6-10/h1-8,10-13H,9,14-15H2,(H2,25,30)(H,26,29)(H,27,28);2-8,20H,1,9,18H2,(H2,19,23)(H,21,22);2-8H,9H2,1H3,(H2,18,22)(H,19,23)(H,20,21);2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21);2*2-8H,9H2,1H3,(H2,17,20)(H,18,19);1-8H,9H2,(H2,16,19)(H,17,18);1-8H,9H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 2756.24 g/mol, XLogP of 20.53, 40 rotatable bonds, 21 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 158811782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).