1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

C106H122N28O11 — CID 158296669

About 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (PubChem CID 158296669) has the molecular formula C106H122N28O11 and a molecular weight of 1964.33 g/mol. Its IUPAC name is 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

• Compound Name: 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
• PubChem CID: 158296669
• Molecular Formula: C106H122N28O11
• Molecular Weight: 1964.33 g/mol
• Exact Mass: 1962.98
• IUPAC Name: 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
• SMILES: CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccc(C(C)N4CCOCC4)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccc(C(C)N4C[C@@H](C)O[C@@H](C)C4)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ncc(CN(C)C)o3)cc(-c3ccn(CC(C)C)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cncc(C(=O)NCCN4CCOCC4)c3)cc2[nH]1
• InChI: InChI=1S/C28H33N7O2.C27H29N7O4.C26H29N7O2.C25H31N7O3/c1-5-29-28(36)34-27-32-25-13-21(12-22(26(25)33-27)24-8-6-7-11-30-24)20-9-10-23(31-14-20)19(4)35-15-17(2)37-18(3)16-35;1-2-38-27(36)33-26-31-23-15-18(14-21(24(23)32-26)22-5-3-4-6-29-22)19-13-20(17-28-16-19)25(35)30-7-8-34-9-11-37-12-10-34;1-3-27-26(34)32-25-30-23-15-19(14-20(24(23)31-25)22-6-4-5-9-28-22)18-7-8-21(29-16-18)17(2)33-10-12-35-13-11-33;1-6-26-25(34)30-24-28-20-10-17(16-7-8-32(13-15(2)3)21(33)11-16)9-19(22(20)29-24)23-27-12-18(35-23)14-31(4)5/h6-14,17-19H,5,15-16H2,1-4H3,(H3,29,32,33,34,36);3-6,13-17H,2,7-12H2,1H3,(H,30,35)(H2,31,32,33,36);4-9,14-17H,3,10-13H2,1-2H3,(H3,27,30,31,32,34);7-12,15H,6,13-14H2,1-5H3,(H3,26,28,29,30,34)/t17-,18+,19?
• InChIKey: GLZODSIJWICFLZ-XSPHEWKZSA-N
• XLogP: 16.44
• TPSA: 471.56 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1964.33
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?

The IUPAC name of 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (CID 158296669) is 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.

What is the SMILES notation for 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?

The canonical SMILES for 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccc(C(C)N4CCOCC4)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccc(C(C)N4C[C@@H](C)O[C@@H](C)C4)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ncc(CN(C)C)o3)cc(-c3ccn(CC(C)C)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cncc(C(=O)NCCN4CCOCC4)c3)cc2[nH]1.

What is the InChIKey of 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?

The InChIKey is GLZODSIJWICFLZ-XSPHEWKZSA-N. The full InChI is InChI=1S/C28H33N7O2.C27H29N7O4.C26H29N7O2.C25H31N7O3/c1-5-29-28(36)34-27-32-25-13-21(12-22(26(25)33-27)24-8-6-7-11-30-24)20-9-10-23(31-14-20)19(4)35-15-17(2)37-18(3)16-35;1-2-38-27(36)33-26-31-23-15-18(14-21(24(23)32-26)22-5-3-4-6-29-22)19-13-20(17-28-16-19)25(35)30-7-8-34-9-11-37-12-10-34;1-3-27-26(34)32-25-30-23-15-19(14-20(24(23)31-25)22-6-4-5-9-28-22)18-7-8-21(29-16-18)17(2)33-10-12-35-13-11-33;1-6-26-25(34)30-24-28-20-10-17(16-7-8-32(13-15(2)3)21(33)11-16)9-19(22(20)29-24)23-27-12-18(35-23)14-31(4)5/h6-14,17-19H,5,15-16H2,1-4H3,(H3,29,32,33,34,36);3-6,13-17H,2,7-12H2,1H3,(H,30,35)(H2,31,32,33,36);4-9,14-17H,3,10-13H2,1-2H3,(H3,27,30,31,32,34);7-12,15H,6,13-14H2,1-5H3,(H3,26,28,29,30,34)/t17-,18+,19?;;;.

What are the key properties of 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?

1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1964.33 g/mol, XLogP of 16.44, 28 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-[1-(2-methylpropyl)-2-oxo-4-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-[6-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 158296669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).