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

C72H78N24O10 — CID 162011277

IUPACethyl 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
SMILESCCNC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(CN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1
InChIInChI=1S/C24H27N9O3.C24H26N8O4.C24H25N7O3/c1-2-25-23(34)32-22-30-19-13-16(12-18(20(19)31-22)21-26-4-3-5-27-21)17-14-28-24(29-15-17)36-11-8-33-6-9-35-10-7-33;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;1-2-34-24(32)30-23-28-20-12-16(11-18(22(20)29-23)19-5-3-4-6-25-19)17-13-26-21(27-14-17)15-31-7-9-33-10-8-31/h3-5,12-15H,2,6-11H2,1H3,(H3,25,30,31,32,34);3-5,12-15H,2,6-11H2,1H3,(H2,29,30,31,33);3-6,11-14H,2,7-10,15H2,1H3,(H2,28,29,30,32)
InChIKeyYTMWAMKELIETIV-UHFFFAOYSA-N
MW1439.57 g/mol
LogP8.57
Rot. Bonds22

About 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

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 (PubChem CID 162011277) has the molecular formula C72H78N24O10 and a molecular weight of 1439.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID162011277
Molecular FormulaC72H78N24O10
Molecular Weight1439.57 g/mol
Exact Mass1438.63
IUPAC Nameethyl 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
SMILESCCNC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(CN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1
InChIInChI=1S/C24H27N9O3.C24H26N8O4.C24H25N7O3/c1-2-25-23(34)32-22-30-19-13-16(12-18(20(19)31-22)21-26-4-3-5-27-21)17-14-28-24(29-15-17)36-11-8-33-6-9-35-10-7-33;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;1-2-34-24(32)30-23-28-20-12-16(11-18(22(20)29-23)19-5-3-4-6-25-19)17-13-26-21(27-14-17)15-31-7-9-33-10-8-31/h3-5,12-15H,2,6-11H2,1H3,(H3,25,30,31,32,34);3-5,12-15H,2,6-11H2,1H3,(H2,29,30,31,33);3-6,11-14H,2,7-10,15H2,1H3,(H2,28,29,30,32)
InChIKeyYTMWAMKELIETIV-UHFFFAOYSA-N
XLogP8.57
TPSA401.49 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001439.57
LogP ≤ 58.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

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Related Compounds

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
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
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-[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
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-[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-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 88883631
ethyl N-[6-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;methane
CID 159263596
ethyl N-[6-[6-[(2,6-dimethylidenemorpholin-4-yl)methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 89207802
ethyl N-[6-[6-[[bis(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 11191338
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cnc(OCCN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(CN4CCOCC4)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-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?
The InChIKey is YTMWAMKELIETIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O3.C24H26N8O4.C24H25N7O3/c1-2-25-23(34)32-22-30-19-13-16(12-18(20(19)31-22)21-26-4-3-5-27-21)17-14-28-24(29-15-17)36-11-8-33-6-9-35-10-7-33;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;1-2-34-24(32)30-23-28-20-12-16(11-18(22(20)29-23)19-5-3-4-6-25-19)17-13-26-21(27-14-17)15-31-7-9-33-10-8-31/h3-5,12-15H,2,6-11H2,1H3,(H3,25,30,31,32,34);3-5,12-15H,2,6-11H2,1H3,(H2,29,30,31,33);3-6,11-14H,2,7-10,15H2,1H3,(H2,28,29,30,32).
What are the key properties of 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?
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 has a molecular weight of 1439.57 g/mol, XLogP of 8.57, 22 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-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 is sourced from PubChem (CID 162011277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).