About 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;2-[2-(butylamino)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;bis(2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide);2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[5-(prop-1-en-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide
2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;2-[2-(butylamino)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;bis(2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide);2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[5-(prop-1-en-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide (PubChem CID 160855925) has the molecular formula C113H110N30O8S9
and a molecular weight of 2304.93 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;2-[2-(butylamino)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;bis(2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide);2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[5-(prop-1-en-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;2-[2-(butylamino)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;bis(2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide);2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[5-(prop-1-en-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;2-[2-(butylamino)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;bis(2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide);2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[5-(prop-1-en-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide (CID 160855925) is 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;2-[2-(butylamino)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;bis(2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide);2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[5-(prop-1-en-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;2-[2-(butylamino)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;bis(2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide);2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[5-(prop-1-en-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;2-[2-(butylamino)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;bis(2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide);2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[5-(prop-1-en-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide is C=C(C)Nc1nnc(SCc2nc3c(C(N)=O)cccc3[nH]2)s1.CCCCNCCSCc1nc2c(C(N)=O)cccc2[nH]1.Cc1ccc(SCc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(SCc2nc3c(C(N)=O)cccc3[nH]2)cc1.NC(=O)c1cccc2[nH]c(CSc3ccccc3C3=NCCCN3)nc12.NC(=O)c1cccc2[nH]c(CSc3nc4ccccc4s3)nc12.NC(=O)c1cccc2[nH]c(CSc3nnc(-c4ccccc4)o3)nc12.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;2-[2-(butylamino)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;bis(2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide);2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[5-(prop-1-en-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is SJVUOYYCPYQKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS.C17H13N5O2S.C16H12N4OS2.2C16H15N3OS.C15H22N4OS.C14H14N6OS2/c20-18(25)13-6-3-7-14-17(13)24-16(23-14)11-26-15-8-2-1-5-12(15)19-21-9-4-10-22-19;18-15(23)11-7-4-8-12-14(11)20-13(19-12)9-25-17-22-21-16(24-17)10-5-2-1-3-6-10;17-15(21)9-4-3-6-11-14(9)20-13(18-11)8-22-16-19-10-5-1-2-7-12(10)23-16;2*1-10-5-7-11(8-6-10)21-9-14-18-13-4-2-3-12(16(17)20)15(13)19-14;1-2-3-7-17-8-9-21-10-13-18-12-6-4-5-11(15(16)20)14(12)19-13;1-7(2)16-13-19-20-14(23-13)22-6-10-17-9-5-3-4-8(12(15)21)11(9)18-10/h1-3,5-8H,4,9-11H2,(H2,20,25)(H,21,22)(H,23,24);1-8H,9H2,(H2,18,23)(H,19,20);1-7H,8H2,(H2,17,21)(H,18,20);2*2-8H,9H2,1H3,(H2,17,20)(H,18,19);4-6,17H,2-3,7-10H2,1H3,(H2,16,20)(H,18,19);3-5H,1,6H2,2H3,(H2,15,21)(H,16,19)(H,17,18).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;2-[2-(butylamino)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;bis(2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide);2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[5-(prop-1-en-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide?
2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;2-[2-(butylamino)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;bis(2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide);2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[5-(prop-1-en-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 2304.93 g/mol, XLogP of 20.82, 37 rotatable bonds, 17 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;2-[2-(butylamino)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;bis(2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide);2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[5-(prop-1-en-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 160855925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).