1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine

C257H225N59O12S3 — CID 158208806

IUPAC1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine
SMILESC1=Cc2ncncc2C1.O=C1CNc2ncncc2C1.O=C1COc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1Cc2cccnc2N1.O=C1NCc2ccccc2N1.O=c1[nH][nH]c2ncncc12.O=c1[nH]c2ccncc2[nH]1.c1cc2ccsc2cn1.c1cc2cnccc2cn1.c1cc2nccn2cn1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)OCO2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2occc2c1.c1ccc2scnc2c1.c1ccn2cncc2c1.c1ccn2nccc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1.c1cnn2cccc2c1.c1ncc2c(n1)CCNC2.c1ncc2c(n1)NCCC2.c1ncc2c(n1)NCCC2.c1ncc2ccsc2n1
InChIInChI=1S/C10H8.2C9H7N.C9H11N.C9H7N.C9H10.C8H8N2O.6C8H6N2.C8H7NO2.2C8H7NO.C8H6O.C7H7N3O.3C7H9N3.C7H6N2O.5C7H6N2.2C7H5NS.C7H6O2.C6H5N3O.C6H5N3.C6H4N2S.C5H4N4O/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;11-8-9-5-6-3-1-2-4-7(6)10-8;1-3-9-6-8-2-4-10-5-7(1)8;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;10-8-5-11-7-4-2-1-3-6(7)9-8;2*10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-8-7(3-1)5-6-9-8;11-6-1-5-2-8-4-10-7(5)9-3-6;1-2-8-3-6-4-9-5-10-7(1)6;2*1-2-6-4-8-5-10-7(6)9-3-1;10-6-4-5-2-1-3-8-7(5)9-6;1-3-7-4-2-6-9(7)8-5-1;1-2-6-4-8-5-9-7(6)3-1;1-2-6-9-7(3-1)4-5-8-9;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-7-6(1)2-4-9-7;2*1-2-4-7-6(3-1)8-5-9-7;10-6-8-4-1-2-7-3-5(4)9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-9-6-5(1)3-7-4-8-6;10-5-3-1-6-2-7-4(3)8-9-5/h1-8H;2*1-7H;1-4,10H,5-7H2;1-7H;1-2,4-5H,3,6-7H2;1-4H,5H2,(H2,9,10,11);6*1-6H;1-4H,5H2,(H,9,10);2*1-4H,5H2,(H,9,10);1-6H;2,4H,1,3H2,(H,8,9,10);4-5,8H,1-3H2;2*4-5H,1-3H2,(H,8,9,10);1-3H,4H2,(H,8,9,10);1-6H;1,3-5H,2H2;2*1-6H;1-5H,(H,8,9);2*1-5H;1-4H,5H2;1-3H,(H2,8,9,10);1-5H;1-4H;1-2H,(H2,6,7,8,9,10)
InChIKeyGBUVWIJNFIHUFE-UHFFFAOYSA-N
MW4428.23 g/mol
LogP47.28
Rot. Bonds

About 1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine

1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine (PubChem CID 158208806) has the molecular formula C257H225N59O12S3 and a molecular weight of 4428.23 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine
PubChem CID158208806
Molecular FormulaC257H225N59O12S3
Molecular Weight4428.23 g/mol
Exact Mass4424.80
IUPAC Name1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine
SMILESC1=Cc2ncncc2C1.O=C1CNc2ncncc2C1.O=C1COc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1Cc2cccnc2N1.O=C1NCc2ccccc2N1.O=c1[nH][nH]c2ncncc12.O=c1[nH]c2ccncc2[nH]1.c1cc2ccsc2cn1.c1cc2cnccc2cn1.c1cc2nccn2cn1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)OCO2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2occc2c1.c1ccc2scnc2c1.c1ccn2cncc2c1.c1ccn2nccc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1.c1cnn2cccc2c1.c1ncc2c(n1)CCNC2.c1ncc2c(n1)NCCC2.c1ncc2c(n1)NCCC2.c1ncc2ccsc2n1
InChIInChI=1S/C10H8.2C9H7N.C9H11N.C9H7N.C9H10.C8H8N2O.6C8H6N2.C8H7NO2.2C8H7NO.C8H6O.C7H7N3O.3C7H9N3.C7H6N2O.5C7H6N2.2C7H5NS.C7H6O2.C6H5N3O.C6H5N3.C6H4N2S.C5H4N4O/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;11-8-9-5-6-3-1-2-4-7(6)10-8;1-3-9-6-8-2-4-10-5-7(1)8;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;10-8-5-11-7-4-2-1-3-6(7)9-8;2*10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-8-7(3-1)5-6-9-8;11-6-1-5-2-8-4-10-7(5)9-3-6;1-2-8-3-6-4-9-5-10-7(1)6;2*1-2-6-4-8-5-10-7(6)9-3-1;10-6-4-5-2-1-3-8-7(5)9-6;1-3-7-4-2-6-9(7)8-5-1;1-2-6-4-8-5-9-7(6)3-1;1-2-6-9-7(3-1)4-5-8-9;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-7-6(1)2-4-9-7;2*1-2-4-7-6(3-1)8-5-9-7;10-6-8-4-1-2-7-3-5(4)9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-9-6-5(1)3-7-4-8-6;10-5-3-1-6-2-7-4(3)8-9-5/h1-8H;2*1-7H;1-4,10H,5-7H2;1-7H;1-2,4-5H,3,6-7H2;1-4H,5H2,(H2,9,10,11);6*1-6H;1-4H,5H2,(H,9,10);2*1-4H,5H2,(H,9,10);1-6H;2,4H,1,3H2,(H,8,9,10);4-5,8H,1-3H2;2*4-5H,1-3H2,(H,8,9,10);1-3H,4H2,(H,8,9,10);1-6H;1,3-5H,2H2;2*1-6H;1-5H,(H,8,9);2*1-5H;1-4H,5H2;1-3H,(H2,8,9,10);1-5H;1-4H;1-2H,(H2,6,7,8,9,10)
InChIKeyGBUVWIJNFIHUFE-UHFFFAOYSA-N
XLogP47.28
TPSA909.02 Ų
H-Bond Donors16
H-Bond Acceptors63
Rotatable Bonds
Heavy Atoms331
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004428.23
LogP ≤ 547.28
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1063

Analyze 1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);1-methoxy-4-methylbenzene;1-methylimidazole;1-methylindole;bis(1-methylpiperidine);5-methylpyrimidine;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 157327103
benzene;1,3-benzodioxole;tris(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 157505301
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;dibenzothiophene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;triazine;1,3,5-triazine
CID 157518381
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;bis(1,3-oxazole);[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 158627228
benzene;1,3-benzodioxole;1,3-benzothiazole;bis(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;5,6-dihydro-1H-indole;ethane;9H-fluorene;furan;1H-indole;methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 158707597
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;1H-indazole;1H-indole;quinazoline;quinoline;quinoxaline;2,2,3,3-tetrafluoro-1,4-benzodioxine
CID 160229436
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 160394850
benzene;1,3-benzodioxole;1,3-benzothiazole;bis(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 160767518
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;triazine;1,3,5-triazine
CID 161124010
bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine
CID 162093117
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 162166191

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine?
The IUPAC name of 1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine (CID 158208806) is 1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine.
What is the SMILES notation for 1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine?
The canonical SMILES for 1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine is C1=Cc2ncncc2C1.O=C1CNc2ncncc2C1.O=C1COc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1Cc2cccnc2N1.O=C1NCc2ccccc2N1.O=c1[nH][nH]c2ncncc12.O=c1[nH]c2ccncc2[nH]1.c1cc2ccsc2cn1.c1cc2cnccc2cn1.c1cc2nccn2cn1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)OCO2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2occc2c1.c1ccc2scnc2c1.c1ccn2cncc2c1.c1ccn2nccc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1.c1cnn2cccc2c1.c1ncc2c(n1)CCNC2.c1ncc2c(n1)NCCC2.c1ncc2c(n1)NCCC2.c1ncc2ccsc2n1.
What is the InChIKey of 1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine?
The InChIKey is GBUVWIJNFIHUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C9H7N.C9H11N.C9H7N.C9H10.C8H8N2O.6C8H6N2.C8H7NO2.2C8H7NO.C8H6O.C7H7N3O.3C7H9N3.C7H6N2O.5C7H6N2.2C7H5NS.C7H6O2.C6H5N3O.C6H5N3.C6H4N2S.C5H4N4O/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;11-8-9-5-6-3-1-2-4-7(6)10-8;1-3-9-6-8-2-4-10-5-7(1)8;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;10-8-5-11-7-4-2-1-3-6(7)9-8;2*10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-8-7(3-1)5-6-9-8;11-6-1-5-2-8-4-10-7(5)9-3-6;1-2-8-3-6-4-9-5-10-7(1)6;2*1-2-6-4-8-5-10-7(6)9-3-1;10-6-4-5-2-1-3-8-7(5)9-6;1-3-7-4-2-6-9(7)8-5-1;1-2-6-4-8-5-9-7(6)3-1;1-2-6-9-7(3-1)4-5-8-9;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-7-6(1)2-4-9-7;2*1-2-4-7-6(3-1)8-5-9-7;10-6-8-4-1-2-7-3-5(4)9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-9-6-5(1)3-7-4-8-6;10-5-3-1-6-2-7-4(3)8-9-5/h1-8H;2*1-7H;1-4,10H,5-7H2;1-7H;1-2,4-5H,3,6-7H2;1-4H,5H2,(H2,9,10,11);6*1-6H;1-4H,5H2,(H,9,10);2*1-4H,5H2,(H,9,10);1-6H;2,4H,1,3H2,(H,8,9,10);4-5,8H,1-3H2;2*4-5H,1-3H2,(H,8,9,10);1-3H,4H2,(H,8,9,10);1-6H;1,3-5H,2H2;2*1-6H;1-5H,(H,8,9);2*1-5H;1-4H,5H2;1-3H,(H2,8,9,10);1-5H;1-4H;1-2H,(H2,6,7,8,9,10).
What are the key properties of 1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine?
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine has a molecular weight of 4428.23 g/mol, XLogP of 47.28, 0 rotatable bonds, 16 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine is sourced from PubChem (CID 158208806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).