1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

C65H72N22O7 — CID 158797480

About 1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (PubChem CID 158797480) has the molecular formula C65H72N22O7 and a molecular weight of 1273.44 g/mol. Its IUPAC name is 1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

• Compound Name: 1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
• PubChem CID: 158797480
• Molecular Formula: C65H72N22O7
• Molecular Weight: 1273.44 g/mol
• Exact Mass: 1272.60
• IUPAC Name: 1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
• SMILES: CCNC(=O)Nc1nc2c(-c3nnc(C)o3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC4CCCO4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CCN(CC)CC)c(=O)c3)cc2[nH]1
• InChI: InChI=1S/C24H30N8O2.C23H25N7O3.C18H17N7O2/c1-4-25-24(34)29-23-27-19-14-18(15-20(22(19)28-23)32-10-7-9-26-32)17-8-11-31(21(33)16-17)13-12-30(5-2)6-3;1-2-24-23(32)28-22-26-18-11-16(12-19(21(18)27-22)30-8-4-7-25-30)15-6-9-29(20(31)13-15)14-17-5-3-10-33-17;1-3-20-18(26)23-17-21-14-8-12(11-5-4-6-19-9-11)7-13(15(14)22-17)16-25-24-10(2)27-16/h7-11,14-16H,4-6,12-13H2,1-3H3,(H3,25,27,28,29,34);4,6-9,11-13,17H,2-3,5,10,14H2,1H3,(H3,24,26,27,28,32);4-9H,3H2,1-2H3,(H3,20,21,22,23,26)
• InChIKey: ITASGSUJINRMPK-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 353.35 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1273.44
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?

The IUPAC name of 1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (CID 158797480) is 1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.

What is the SMILES notation for 1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?

The canonical SMILES for 1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3nnc(C)o3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC4CCCO4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CCN(CC)CC)c(=O)c3)cc2[nH]1.

What is the InChIKey of 1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?

The InChIKey is ITASGSUJINRMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2.C23H25N7O3.C18H17N7O2/c1-4-25-24(34)29-23-27-19-14-18(15-20(22(19)28-23)32-10-7-9-26-32)17-8-11-31(21(33)16-17)13-12-30(5-2)6-3;1-2-24-23(32)28-22-26-18-11-16(12-19(21(18)27-22)30-8-4-7-25-30)15-6-9-29(20(31)13-15)14-17-5-3-10-33-17;1-3-20-18(26)23-17-21-14-8-12(11-5-4-6-19-9-11)7-13(15(14)22-17)16-25-24-10(2)27-16/h7-11,14-16H,4-6,12-13H2,1-3H3,(H3,25,27,28,29,34);4,6-9,11-13,17H,2-3,5,10,14H2,1H3,(H3,24,26,27,28,32);4-9H,3H2,1-2H3,(H3,20,21,22,23,26).

What are the key properties of 1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?

1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1273.44 g/mol, XLogP of 9.08, 19 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 158797480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).