1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

C61H66N24O4 — CID 158995084

IUPAC1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccc(CN4CCCCC4)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccc(OCC)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cnc(N)nc3)cc2[nH]1
InChIInChI=1S/C24H28N8O.C20H21N7O2.C17H17N9O/c1-2-25-24(33)30-23-28-20-13-18(14-21(22(20)29-23)32-12-6-9-27-32)17-7-8-19(26-15-17)16-31-10-4-3-5-11-31;1-3-21-20(28)26-19-24-15-10-14(13-6-7-17(22-12-13)29-4-2)11-16(18(15)25-19)27-9-5-8-23-27;1-2-19-17(27)25-16-23-12-6-10(11-8-20-15(18)21-9-11)7-13(14(12)24-16)26-5-3-4-22-26/h6-9,12-15H,2-5,10-11,16H2,1H3,(H3,25,28,29,30,33);5-12H,3-4H2,1-2H3,(H3,21,24,25,26,28);3-9H,2H2,1H3,(H2,18,20,21)(H3,19,23,24,25,27)
InChIKeyJQQIJEQAJZFKAQ-UHFFFAOYSA-N
MW1199.36 g/mol
LogP9.22
Rot. Bonds16

About 1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (PubChem CID 158995084) has the molecular formula C61H66N24O4 and a molecular weight of 1199.36 g/mol. Its IUPAC name is 1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
PubChem CID158995084
Molecular FormulaC61H66N24O4
Molecular Weight1199.36 g/mol
Exact Mass1198.57
IUPAC Name1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccc(CN4CCCCC4)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccc(OCC)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cnc(N)nc3)cc2[nH]1
InChIInChI=1S/C24H28N8O.C20H21N7O2.C17H17N9O/c1-2-25-24(33)30-23-28-20-13-18(14-21(22(20)29-23)32-12-6-9-27-32)17-7-8-19(26-15-17)16-31-10-4-3-5-11-31;1-3-21-20(28)26-19-24-15-10-14(13-6-7-17(22-12-13)29-4-2)11-16(18(15)25-19)27-9-5-8-23-27;1-2-19-17(27)25-16-23-12-6-10(11-8-20-15(18)21-9-11)7-13(14(12)24-16)26-5-3-4-22-26/h6-9,12-15H,2-5,10-11,16H2,1H3,(H3,25,28,29,30,33);5-12H,3-4H2,1-2H3,(H3,21,24,25,26,28);3-9H,2H2,1H3,(H2,18,20,21)(H3,19,23,24,25,27)
InChIKeyJQQIJEQAJZFKAQ-UHFFFAOYSA-N
XLogP9.22
TPSA352.94 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001199.36
LogP ≤ 59.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Analyze 1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea with MolForge

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Related Compounds

Targaprimir-96
CID 90479856
N-[3-[[2-[2-aminoethyl-[2-[[2-[[2-[3-imidazol-1-ylpropyl-[4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]amino]acetyl]-methylamino]acetyl]-[4-(methylamino)butyl]amino]acetyl]amino]acetyl]-(2-amino-2-oxoethyl)amino]propyl]-4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 162666445
N-[3-(6-methoxy-3-pyridinyl)-5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide
CID 117777694
N-[3-[4-[[(2-amino-2-oxoethyl)-[2-[[2-[[2-[[2-[[2-[[1-[3-[4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]amino]methyl]triazol-1-yl]propyl]-4-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 162644742
N-[3-[4-[[(2-amino-2-oxoethyl)-[2-[[2-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetyl]amino]methyl]triazol-1-yl]propyl]-4-[2,6-ditert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 171356871
N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenoxy]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137087283
N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenyl]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145249347
1-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(4-methoxy-3-phenylmethoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(6-methoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 157723942
1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(4-methoxy-3-phenylmethoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]urea
CID 157725300
1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]urea
CID 158202311
1-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-(5-fluoro-4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-ethyl-3-[6-(6-methoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 161131110
N-[4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide;1-[4-[2-[6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(6-phenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 161804999

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (CID 158995084) is 1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccc(CN4CCCCC4)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccc(OCC)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cnc(N)nc3)cc2[nH]1.
What is the InChIKey of 1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is JQQIJEQAJZFKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O.C20H21N7O2.C17H17N9O/c1-2-25-24(33)30-23-28-20-13-18(14-21(22(20)29-23)32-12-6-9-27-32)17-7-8-19(26-15-17)16-31-10-4-3-5-11-31;1-3-21-20(28)26-19-24-15-10-14(13-6-7-17(22-12-13)29-4-2)11-16(18(15)25-19)27-9-5-8-23-27;1-2-19-17(27)25-16-23-12-6-10(11-8-20-15(18)21-9-11)7-13(14(12)24-16)26-5-3-4-22-26/h6-9,12-15H,2-5,10-11,16H2,1H3,(H3,25,28,29,30,33);5-12H,3-4H2,1-2H3,(H3,21,24,25,26,28);3-9H,2H2,1H3,(H2,18,20,21)(H3,19,23,24,25,27).
What are the key properties of 1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1199.36 g/mol, XLogP of 9.22, 16 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 158995084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).