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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

C75H70N28O5S — CID 160655648

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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-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(-c3ncc(C)o3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3nccs3)cc(-c3cnc(N)nc3)cc2[nH]1
InChIInChI=1S/C20H18N6O.C19H18N8O.C19H18N6O2.C17H16N8OS/c1-2-22-20(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;1-3-21-19(26)25-18-23-15-8-13(12-5-4-6-20-10-12)7-14(16(15)24-18)17-22-9-11(2)27-17;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/h3-12H,2H2,1H3,(H3,22,24,25,26,27);3-10H,2H2,1H3,(H2,20,23,24)(H3,21,25,26,27,28);4-10H,3H2,1-2H3,(H3,21,23,24,25,26);3-8H,2H2,1H3,(H2,18,21,22)(H3,19,23,24,25,26)
InChIKeyRKZWVJICRXCMKW-UHFFFAOYSA-N
MW1475.64 g/mol
LogP13.23
Rot. Bonds16

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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (PubChem CID 160655648) has the molecular formula C75H70N28O5S and a molecular weight of 1475.64 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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
PubChem CID160655648
Molecular FormulaC75H70N28O5S
Molecular Weight1475.64 g/mol
Exact Mass1474.58
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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-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(-c3ncc(C)o3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3nccs3)cc(-c3cnc(N)nc3)cc2[nH]1
InChIInChI=1S/C20H18N6O.C19H18N8O.C19H18N6O2.C17H16N8OS/c1-2-22-20(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;1-3-21-19(26)25-18-23-15-8-13(12-5-4-6-20-10-12)7-14(16(15)24-18)17-22-9-11(2)27-17;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/h3-12H,2H2,1H3,(H3,22,24,25,26,27);3-10H,2H2,1H3,(H2,20,23,24)(H3,21,25,26,27,28);4-10H,3H2,1-2H3,(H3,21,23,24,25,26);3-8H,2H2,1H3,(H2,18,21,22)(H3,19,23,24,25,26)
InChIKeyRKZWVJICRXCMKW-UHFFFAOYSA-N
XLogP13.23
TPSA473.32 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001475.64
LogP ≤ 513.23
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-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

1-[2-(1H-benzimidazol-2-yl)acetyl]-5,5-difluoro-N-(4-methylphenyl)piperidine-3-carboxamide;1-[2-(1-benzofuran-2-yl)acetyl]-N-(4-methylphenyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-4-ylbenzoyl)piperidine-3-carboxamide;1-(3H-indole-2-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 161086765
1-[3-methylidene-2-[6-[2-[2-[1-[2-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-yl]-1H-benzimidazol-4-yl]-1,3-oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-(4-methylpiperazin-1-yl)-2-phenylethanone
CID 91091688
2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole
CID 141050931
2-[6-(1H-imidazol-2-yl)-3-piperazin-1-yl-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)benzimidazol-4-yl]-1,3-oxazole
CID 141050941
2-[2-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole
CID 141050973
2-[4-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-7-pyrazin-2-yl-6-pyridin-2-yl-5-pyrimidin-2-ylquinolin-2-yl]-1,3-benzoxazole
CID 141055142
2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine
CID 157060293
ethyl N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-[5-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea
CID 157079467
3,9-dimethylcarbazole;3,5-dimethyl-2H-1,3-oxazole;1-methoxy-4-methylbenzene;2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;4-methyl-2H-imidazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methylisoindole;1-methylnaphthalene;2-methylpyrimidine;5-methylpyrimidine;6-methylpyrrolo[3,4-b]pyrazine;bis(6-methylpyrrolo[3,4-b]pyridine);2-methylpyrrolo[3,4-c]pyridine;2-methylquinazoline;2-methylquinoxaline;2-methyl-4,5,6,7-tetrahydroisoindole;N,N,4-trimethylaniline
CID 157161544
1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
CID 157161981
3-[8-([1]Benzothiolo[2,3-b]pyrazin-8-yl)-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-13-yl]-8-oxa-4,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(6-pyrimido[5,4-b]indol-5-yl-[1]benzothiolo[2,3-d]pyrimidin-8-yl)-8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;12-[13-(3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-6-yl]-8-oxa-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-[13-(8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-8-oxa-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 157163182
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157179671

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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (CID 160655648) 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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-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(-c3ncc(C)o3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3nccs3)cc(-c3cnc(N)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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-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 RKZWVJICRXCMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O.C19H18N8O.C19H18N6O2.C17H16N8OS/c1-2-22-20(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;1-3-21-19(26)25-18-23-15-8-13(12-5-4-6-20-10-12)7-14(16(15)24-18)17-22-9-11(2)27-17;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/h3-12H,2H2,1H3,(H3,22,24,25,26,27);3-10H,2H2,1H3,(H2,20,23,24)(H3,21,25,26,27,28);4-10H,3H2,1-2H3,(H3,21,23,24,25,26);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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-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 1475.64 g/mol, XLogP of 13.23, 16 rotatable bonds, 14 hydrogen bond donors, and 22 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-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-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 160655648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).