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

C74H81N23O11 — CID 158002908

IUPACethyl 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;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1
InChIInChI=1S/C25H28N8O3.C25H27N7O4.C24H26N8O4/c1-2-26-24(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;1-2-35-24(33)31-22-29-19-13-16(12-18(20(19)30-22)21-25-4-3-5-26-21)17-14-27-23(28-15-17)36-11-8-32-6-9-34-10-7-32/h3-6,13-16H,2,7-12H2,1H3,(H3,26,30,31,32,34);3-6,13-16H,2,7-12H2,1H3,(H2,29,30,31,33);3-5,12-15H,2,6-11H2,1H3,(H2,29,30,31,33)
InChIKeyFDYGMQOHZNBFLR-UHFFFAOYSA-N
MW1468.61 g/mol
LogP9.05
Rot. Bonds24

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

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;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate (PubChem CID 158002908) has the molecular formula C74H81N23O11 and a molecular weight of 1468.61 g/mol. Its IUPAC name is 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;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl 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;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate
PubChem CID158002908
Molecular FormulaC74H81N23O11
Molecular Weight1468.61 g/mol
Exact Mass1467.65
IUPAC Nameethyl 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;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1
InChIInChI=1S/C25H28N8O3.C25H27N7O4.C24H26N8O4/c1-2-26-24(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;1-2-35-24(33)31-22-29-19-13-16(12-18(20(19)30-22)21-25-4-3-5-26-21)17-14-27-23(28-15-17)36-11-8-32-6-9-34-10-7-32/h3-6,13-16H,2,7-12H2,1H3,(H3,26,30,31,32,34);3-6,13-16H,2,7-12H2,1H3,(H2,29,30,31,33);3-5,12-15H,2,6-11H2,1H3,(H2,29,30,31,33)
InChIKeyFDYGMQOHZNBFLR-UHFFFAOYSA-N
XLogP9.05
TPSA397.83 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001468.61
LogP ≤ 59.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

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

ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 162011277
ethyl N-[6-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;methane
CID 158487829
1-ethyl-3-[6-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;methane
CID 158757157
ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane
CID 160854815
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
CID 158034729
ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[6-(methylamino)-3-pyridinyl]-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(methylamino)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea
CID 160628527
ethyl N-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 88883631
ethyl N-[6-[6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;methane
CID 160531217
ethyl N-[6-[6-[[bis(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 11191338
1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
CID 88562201
ethyl N-[6-[6-[(2,6-dimethylidenemorpholin-4-yl)methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 89207802
1-[6-[2-[(4-benzylmorpholin-2-yl)methoxy]pyrimidin-5-yl]-4-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea
CID 11664274

Frequently Asked Questions

What is the IUPAC name of 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;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of 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;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate (CID 158002908) is 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;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for 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;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for 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;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate is CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1.
What is the InChIKey of 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;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate?
The InChIKey is FDYGMQOHZNBFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O3.C25H27N7O4.C24H26N8O4/c1-2-26-24(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;1-2-35-24(33)31-22-29-19-13-16(12-18(20(19)30-22)21-25-4-3-5-26-21)17-14-27-23(28-15-17)36-11-8-32-6-9-34-10-7-32/h3-6,13-16H,2,7-12H2,1H3,(H3,26,30,31,32,34);3-6,13-16H,2,7-12H2,1H3,(H2,29,30,31,33);3-5,12-15H,2,6-11H2,1H3,(H2,29,30,31,33).
What are the key properties of 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;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate?
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;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate has a molecular weight of 1468.61 g/mol, XLogP of 9.05, 24 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 158002908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).