1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

C75H83N23O10 — CID 158028472

IUPAC1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccc(OCCN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1
InChIInChI=1S/2C25H28N8O3.C25H27N7O4/c1-2-26-25(34)32-24-30-20-15-18(14-19(22(20)31-24)23-27-6-3-7-28-23)17-4-5-21(29-16-17)36-13-10-33-8-11-35-12-9-33;1-2-26-24(34)32-23-30-21-14-17(13-19(22(21)31-23)20-5-3-4-6-27-20)18-15-28-25(29-16-18)36-12-9-33-7-10-35-11-8-33;1-2-35-25(33)31-23-29-21-14-17(13-19(22(21)30-23)20-5-3-4-6-26-20)18-15-27-24(28-16-18)36-12-9-32-7-10-34-11-8-32/h3-7,14-16H,2,8-13H2,1H3,(H3,26,30,31,32,34);3-6,13-16H,2,7-12H2,1H3,(H3,26,30,31,32,34);3-6,13-16H,2,7-12H2,1H3,(H2,29,30,31,33)
InChIKeyFGWSSGACCPKASP-UHFFFAOYSA-N
MW1466.64 g/mol
LogP9.23
Rot. Bonds24

About 1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (PubChem CID 158028472) has the molecular formula C75H83N23O10 and a molecular weight of 1466.64 g/mol. Its IUPAC name is 1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
PubChem CID158028472
Molecular FormulaC75H83N23O10
Molecular Weight1466.64 g/mol
Exact Mass1465.67
IUPAC Name1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccc(OCCN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1
InChIInChI=1S/2C25H28N8O3.C25H27N7O4/c1-2-26-25(34)32-24-30-20-15-18(14-19(22(20)31-24)23-27-6-3-7-28-23)17-4-5-21(29-16-17)36-13-10-33-8-11-35-12-9-33;1-2-26-24(34)32-23-30-21-14-17(13-19(22(21)31-23)20-5-3-4-6-27-20)18-15-28-25(29-16-18)36-12-9-33-7-10-35-11-8-33;1-2-35-25(33)31-23-29-21-14-17(13-19(22(21)30-23)20-5-3-4-6-26-20)18-15-27-24(28-16-18)36-12-9-32-7-10-34-11-8-32/h3-7,14-16H,2,8-13H2,1H3,(H3,26,30,31,32,34);3-6,13-16H,2,7-12H2,1H3,(H3,26,30,31,32,34);3-6,13-16H,2,7-12H2,1H3,(H2,29,30,31,33)
InChIKeyFGWSSGACCPKASP-UHFFFAOYSA-N
XLogP9.23
TPSA387.74 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001466.64
LogP ≤ 59.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline
CID 123133252
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-(6-pyridin-3-yloxy-3-pyridinyl)-1H-benzimidazol-2-yl]urea
CID 11583607
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 11649967
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(oxolan-3-yloxy)-3-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 57795122
ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-yl]carbamate
CID 71232467
(E)-4,4-difluoro-8-morpholin-4-yl-N-[4-[(2-phenylmethoxy-1H-indol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]oct-2-enamide;(E)-N-(3-morpholin-4-ylpropyl)-N'-[4-[(2-phenylmethoxy-1H-indol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]but-2-enediamide
CID 144691081
2-[3-fluoro-5-[2-[2-methyl-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenoxy]-N,N-dimethylethanamine
CID 145249783
ethyl N-[6-(2-cyclohexyloxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-[1-(2-methylpropyl)piperidin-3-yl]oxypyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[4-pyrimidin-2-yl-6-[6-[[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]methyl]-3-pyridinyl]-1H-benzimidazol-2-yl]carbamate
CID 160212969
ethyl N-[6-[2-[1-(2-methylpropyl)piperidin-3-yl]oxypyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-(2-piperidin-3-yloxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[4-pyrimidin-2-yl-6-[6-[[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]methyl]-3-pyridinyl]-1H-benzimidazol-2-yl]carbamate
CID 161833118
1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 164992476
ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[6-[2-(4-propanoylpiperazin-1-yl)ethoxy]-3-pyridinyl]-1H-benzimidazol-2-yl]carbamate
CID 54673752
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-[2-(4-propanoylpiperazin-1-yl)ethoxy]-3-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 54673753

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (CID 158028472) is 1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccc(OCCN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is FGWSSGACCPKASP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H28N8O3.C25H27N7O4/c1-2-26-25(34)32-24-30-20-15-18(14-19(22(20)31-24)23-27-6-3-7-28-23)17-4-5-21(29-16-17)36-13-10-33-8-11-35-12-9-33;1-2-26-24(34)32-23-30-21-14-17(13-19(22(21)31-23)20-5-3-4-6-27-20)18-15-28-25(29-16-18)36-12-9-33-7-10-35-11-8-33;1-2-35-25(33)31-23-29-21-14-17(13-19(22(21)30-23)20-5-3-4-6-26-20)18-15-27-24(28-16-18)36-12-9-32-7-10-34-11-8-32/h3-7,14-16H,2,8-13H2,1H3,(H3,26,30,31,32,34);3-6,13-16H,2,7-12H2,1H3,(H3,26,30,31,32,34);3-6,13-16H,2,7-12H2,1H3,(H2,29,30,31,33).
What are the key properties of 1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1466.64 g/mol, XLogP of 9.23, 24 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 158028472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).