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

C80H81N27O9 — CID 158461219

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

1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (PubChem CID 158461219) has the molecular formula C80H81N27O9 and a molecular weight of 1564.71 g/mol. Its IUPAC name is 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

• Compound Name: 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
• PubChem CID: 158461219
• Molecular Formula: C80H81N27O9
• Molecular Weight: 1564.71 g/mol
• Exact Mass: 1563.67
• IUPAC Name: 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
• SMILES: CCNC(=O)Nc1nc2c(-c3nc(C)no3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ncc(C)o3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC4CC4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CCOC)c(=O)c3)cc2[nH]1
• InChI: InChI=1S/C22H23N7O2.C21H23N7O3.C19H18N6O2.C18H17N7O2/c1-2-23-22(31)27-21-25-17-10-16(11-18(20(17)26-21)29-8-3-7-24-29)15-6-9-28(19(30)12-15)13-14-4-5-14;1-3-22-21(30)26-20-24-16-11-15(12-17(19(16)25-20)28-7-4-6-23-28)14-5-8-27(9-10-31-2)18(29)13-14;1-3-21-19(26)25-18-23-15-8-13(12-5-4-6-20-10-12)7-14(16(15)24-18)17-22-9-11(2)27-17;1-3-20-18(26)24-17-22-14-8-12(11-5-4-6-19-9-11)7-13(15(14)23-17)16-21-10(2)25-27-16/h3,6-12,14H,2,4-5,13H2,1H3,(H3,23,25,26,27,31);4-8,11-13H,3,9-10H2,1-2H3,(H3,22,24,25,26,30);4-10H,3H2,1-2H3,(H3,21,23,24,25,26);4-9H,3H2,1-2H3,(H3,20,22,23,24,26)
• InChIKey: HFESSZCFBKNUAC-UHFFFAOYSA-N
• XLogP: 12.35
• TPSA: 458.84 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1564.71
LogP ≤ 5	12.35
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (CID 158461219) is 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.

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

The canonical SMILES for 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3nc(C)no3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ncc(C)o3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC4CC4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CCOC)c(=O)c3)cc2[nH]1.

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

The InChIKey is HFESSZCFBKNUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2.C21H23N7O3.C19H18N6O2.C18H17N7O2/c1-2-23-22(31)27-21-25-17-10-16(11-18(20(17)26-21)29-8-3-7-24-29)15-6-9-28(19(30)12-15)13-14-4-5-14;1-3-22-21(30)26-20-24-16-11-15(12-17(19(16)25-20)28-7-4-6-23-28)14-5-8-27(9-10-31-2)18(29)13-14;1-3-21-19(26)25-18-23-15-8-13(12-5-4-6-20-10-12)7-14(16(15)24-18)17-22-9-11(2)27-17;1-3-20-18(26)24-17-22-14-8-12(11-5-4-6-19-9-11)7-13(15(14)23-17)16-21-10(2)25-27-16/h3,6-12,14H,2,4-5,13H2,1H3,(H3,23,25,26,27,31);4-8,11-13H,3,9-10H2,1-2H3,(H3,22,24,25,26,30);4-10H,3H2,1-2H3,(H3,21,23,24,25,26);4-9H,3H2,1-2H3,(H3,20,22,23,24,26).

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

1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1564.71 g/mol, XLogP of 12.35, 21 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 158461219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).