1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

C79H78N30O5S — CID 159415879

IUPAC1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(N)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3nccs3)cc(-c3cnc(N)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccc(CN4CCOCC4)nc3)cc2[nH]1
InChIInChI=1S/C23H26N8O2.C20H18N6O.C19H18N8O.C17H16N8OS/c1-2-24-23(32)29-22-27-19-12-17(13-20(21(19)28-22)31-7-3-6-26-31)16-4-5-18(25-14-16)15-30-8-10-33-11-9-30;1-2-22-20(27)26-19-24-17-11-14(13-6-5-8-21-12-13)10-15(18(17)25-19)16-7-3-4-9-23-16;1-2-21-19(28)27-18-25-15-8-11(12-9-23-17(20)24-10-12)7-13(16(15)26-18)14-5-3-4-6-22-14;1-2-19-17(26)25-16-23-12-6-9(10-7-21-15(18)22-8-10)5-11(13(12)24-16)14-20-3-4-27-14/h3-7,12-14H,2,8-11,15H2,1H3,(H3,24,27,28,29,32);3-12H,2H2,1H3,(H3,22,24,25,26,27);3-10H,2H2,1H3,(H2,20,23,24)(H3,21,25,26,27,28);3-8H,2H2,1H3,(H2,18,21,22)(H3,19,23,24,25,26)
InChIKeyLPDPTXFJNSIEHF-UHFFFAOYSA-N
MW1559.76 g/mol
LogP12.28
Rot. Bonds18

About 1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (PubChem CID 159415879) has the molecular formula C79H78N30O5S and a molecular weight of 1559.76 g/mol. Its IUPAC name is 1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
PubChem CID159415879
Molecular FormulaC79H78N30O5S
Molecular Weight1559.76 g/mol
Exact Mass1558.65
IUPAC Name1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(N)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3nccs3)cc(-c3cnc(N)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccc(CN4CCOCC4)nc3)cc2[nH]1
InChIInChI=1S/C23H26N8O2.C20H18N6O.C19H18N8O.C17H16N8OS/c1-2-24-23(32)29-22-27-19-12-17(13-20(21(19)28-22)31-7-3-6-26-31)16-4-5-18(25-14-16)15-30-8-10-33-11-9-30;1-2-22-20(27)26-19-24-17-11-14(13-6-5-8-21-12-13)10-15(18(17)25-19)16-7-3-4-9-23-16;1-2-21-19(28)27-18-25-15-8-11(12-9-23-17(20)24-10-12)7-13(16(15)26-18)14-5-3-4-6-22-14;1-2-19-17(26)25-16-23-12-6-9(10-7-21-15(18)22-8-10)5-11(13(12)24-16)14-20-3-4-27-14/h3-7,12-14H,2,8-11,15H2,1H3,(H3,24,27,28,29,32);3-12H,2H2,1H3,(H3,22,24,25,26,27);3-10H,2H2,1H3,(H2,20,23,24)(H3,21,25,26,27,28);3-8H,2H2,1H3,(H2,18,21,22)(H3,19,23,24,25,26)
InChIKeyLPDPTXFJNSIEHF-UHFFFAOYSA-N
XLogP12.28
TPSA477.58 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001559.76
LogP ≤ 512.28
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Analyze 1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea with MolForge

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Related Compounds

1H-benzimidazole;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;1H-imidazole;isoquinoline;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;1,2,4-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine
CID 157705336
N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 159155743
1H-benzimidazole;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;1H-imidazole;isoquinoline;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine
CID 159230519
tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine
CID 160668527
2-(dimethylamino)-N-[5-[3-[4-[5-[5-[5-[[2-(dimethylamino)acetyl]amino]-3-pyridinyl]-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-7-yl]thiophen-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137087386
2-[2-(1H-indol-2-yl)-1-(1,8-naphthyridin-2-yl)-7-piperazin-1-yl-4-(7H-purin-2-yl)-6-(1H-pyrazol-3-yl)benzimidazol-5-yl]-1,3-thiazole
CID 141287360
1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate
CID 157331620
5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone
CID 157349625
1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 157497115
3-methyl-N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-(5-pyridin-3-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-benzimidazole;5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 157516037
3,3-dimethyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 157558915
N-tert-butyl-4-[4-[(3-methylbenzimidazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;tert-butyl 4-[4-[(3-methylbenzimidazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-tert-butyl-4-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;tert-butyl 4-[4-[[1-methyl-6-oxo-5-(1,3-thiazol-5-yl)-3-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-tert-butyl-4-[4-[(6-oxo-1-phenyl-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 157568006

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (CID 159415879) is 1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(N)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3nccs3)cc(-c3cnc(N)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccc(CN4CCOCC4)nc3)cc2[nH]1.
What is the InChIKey of 1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The InChIKey is LPDPTXFJNSIEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2.C20H18N6O.C19H18N8O.C17H16N8OS/c1-2-24-23(32)29-22-27-19-12-17(13-20(21(19)28-22)31-7-3-6-26-31)16-4-5-18(25-14-16)15-30-8-10-33-11-9-30;1-2-22-20(27)26-19-24-17-11-14(13-6-5-8-21-12-13)10-15(18(17)25-19)16-7-3-4-9-23-16;1-2-21-19(28)27-18-25-15-8-11(12-9-23-17(20)24-10-12)7-13(16(15)26-18)14-5-3-4-6-22-14;1-2-19-17(26)25-16-23-12-6-9(10-7-21-15(18)22-8-10)5-11(13(12)24-16)14-20-3-4-27-14/h3-7,12-14H,2,8-11,15H2,1H3,(H3,24,27,28,29,32);3-12H,2H2,1H3,(H3,22,24,25,26,27);3-10H,2H2,1H3,(H2,20,23,24)(H3,21,25,26,27,28);3-8H,2H2,1H3,(H2,18,21,22)(H3,19,23,24,25,26).
What are the key properties of 1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea has a molecular weight of 1559.76 g/mol, XLogP of 12.28, 18 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 159415879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).