1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

C86H87N29O8 — CID 160623798

IUPAC1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3cccc(OC)n3)cc(-c3cnc(N)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)n(Cc4ccccc4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C(C)C)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1
InChIInChI=1S/C26H25N7O2.C21H23N7O2.C20H20N8O2.C19H19N7O2/c1-3-27-26(35)31-25-29-21-13-20(14-22(24(21)30-25)33-11-7-10-28-33)19-12-17(2)32(23(34)15-19)16-18-8-5-4-6-9-18;1-4-22-21(30)26-20-24-16-10-15(14-6-9-27(13(2)3)18(29)12-14)11-17(19(16)25-20)28-8-5-7-23-28;1-3-22-20(29)28-19-26-15-8-11(12-9-23-18(21)24-10-12)7-13(17(15)27-19)14-5-4-6-16(25-14)30-2;1-3-20-19(28)24-18-22-14-9-13(12-5-8-25(2)16(27)11-12)10-15(17(14)23-18)26-7-4-6-21-26/h4-15H,3,16H2,1-2H3,(H3,27,29,30,31,35);5-13H,4H2,1-3H3,(H3,22,24,25,26,30);4-10H,3H2,1-2H3,(H2,21,23,24)(H3,22,26,27,28,29);4-11H,3H2,1-2H3,(H3,20,22,23,24,28)
InChIKeyRHAOYPVOAVXMQV-UHFFFAOYSA-N
MW1654.84 g/mol
LogP12.44
Rot. Bonds20

About 1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (PubChem CID 160623798) has the molecular formula C86H87N29O8 and a molecular weight of 1654.84 g/mol. Its IUPAC name is 1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
PubChem CID160623798
Molecular FormulaC86H87N29O8
Molecular Weight1654.84 g/mol
Exact Mass1653.73
IUPAC Name1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3cccc(OC)n3)cc(-c3cnc(N)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)n(Cc4ccccc4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C(C)C)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1
InChIInChI=1S/C26H25N7O2.C21H23N7O2.C20H20N8O2.C19H19N7O2/c1-3-27-26(35)31-25-29-21-13-20(14-22(24(21)30-25)33-11-7-10-28-33)19-12-17(2)32(23(34)15-19)16-18-8-5-4-6-9-18;1-4-22-21(30)26-20-24-16-10-15(14-6-9-27(13(2)3)18(29)12-14)11-17(19(16)25-20)28-8-5-7-23-28;1-3-22-20(29)28-19-26-15-8-11(12-9-23-18(21)24-10-12)7-13(17(15)27-19)14-5-4-6-16(25-14)30-2;1-3-20-19(28)24-18-22-14-9-13(12-5-8-25(2)16(27)11-12)10-15(17(14)23-18)26-7-4-6-21-26/h4-15H,3,16H2,1-2H3,(H3,27,29,30,31,35);5-13H,4H2,1-3H3,(H3,22,24,25,26,30);4-10H,3H2,1-2H3,(H2,21,23,24)(H3,22,26,27,28,29);4-11H,3H2,1-2H3,(H3,20,22,23,24,28)
InChIKeyRHAOYPVOAVXMQV-UHFFFAOYSA-N
XLogP12.44
TPSA472.62 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms123
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001654.84
LogP ≤ 512.44
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Analyze 1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (CID 160623798) is 1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3cccc(OC)n3)cc(-c3cnc(N)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)n(Cc4ccccc4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C(C)C)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.
What is the InChIKey of 1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is RHAOYPVOAVXMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2.C21H23N7O2.C20H20N8O2.C19H19N7O2/c1-3-27-26(35)31-25-29-21-13-20(14-22(24(21)30-25)33-11-7-10-28-33)19-12-17(2)32(23(34)15-19)16-18-8-5-4-6-9-18;1-4-22-21(30)26-20-24-16-10-15(14-6-9-27(13(2)3)18(29)12-14)11-17(19(16)25-20)28-8-5-7-23-28;1-3-22-20(29)28-19-26-15-8-11(12-9-23-18(21)24-10-12)7-13(17(15)27-19)14-5-4-6-16(25-14)30-2;1-3-20-19(28)24-18-22-14-9-13(12-5-8-25(2)16(27)11-12)10-15(17(14)23-18)26-7-4-6-21-26/h4-15H,3,16H2,1-2H3,(H3,27,29,30,31,35);5-13H,4H2,1-3H3,(H3,22,24,25,26,30);4-10H,3H2,1-2H3,(H2,21,23,24)(H3,22,26,27,28,29);4-11H,3H2,1-2H3,(H3,20,22,23,24,28).
What are the key properties of 1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1654.84 g/mol, XLogP of 12.44, 20 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 160623798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).