1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea

C59H56N24O5 — CID 159112082

IUPAC1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cnc(OCc4cccnc4)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cncn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C23H21N9O2.C19H19N7O2.C17H16N8O/c1-2-25-22(33)31-21-29-18-9-16(10-19(20(18)30-21)32-8-4-7-28-32)17-12-26-23(27-13-17)34-14-15-5-3-6-24-11-15;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;1-2-20-17(26)24-16-22-13-6-12(11-4-3-5-18-8-11)7-14(15(13)23-16)25-10-19-9-21-25/h3-13H,2,14H2,1H3,(H3,25,29,30,31,33);4-11H,3H2,1-2H3,(H3,20,22,23,24,28);3-10H,2H2,1H3,(H3,20,22,23,24,26)
InChIKeyKEPWTLPEUYIILC-UHFFFAOYSA-N
MW1181.26 g/mol
LogP7.92
Rot. Bonds15

About 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea

1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea (PubChem CID 159112082) has the molecular formula C59H56N24O5 and a molecular weight of 1181.26 g/mol. Its IUPAC name is 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea
PubChem CID159112082
Molecular FormulaC59H56N24O5
Molecular Weight1181.26 g/mol
Exact Mass1180.49
IUPAC Name1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cnc(OCc4cccnc4)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cncn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C23H21N9O2.C19H19N7O2.C17H16N8O/c1-2-25-22(33)31-21-29-18-9-16(10-19(20(18)30-21)32-8-4-7-28-32)17-12-26-23(27-13-17)34-14-15-5-3-6-24-11-15;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;1-2-20-17(26)24-16-22-13-6-12(11-4-3-5-18-8-11)7-14(15(13)23-16)25-10-19-9-21-25/h3-13H,2,14H2,1H3,(H3,25,29,30,31,33);4-11H,3H2,1-2H3,(H3,20,22,23,24,28);3-10H,2H2,1H3,(H3,20,22,23,24,26)
InChIKeyKEPWTLPEUYIILC-UHFFFAOYSA-N
XLogP7.92
TPSA358.57 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001181.26
LogP ≤ 57.92
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea with MolForge

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Related Compounds

1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea
CID 44133871
1-[4-(3,4-dihydropyrazol-2-yl)-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]-3-ethylurea
CID 67764840
[6-[2-[[2-acetamido-4-[6-[2-[(3-acetamidoanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]anilino]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 132035494
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexylamino]-3-methylbutyl]amino]pentyl]amino]phenyl]methyl 7-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 139559972
N-[5-[1-[4-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-(1,5-dimethylpyrazol-4-yl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-[methyl(prop-2-enoyl)amino]phenyl]-2-(1-methylpyrazol-4-yl)-5-(propan-2-yloxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-methylphenyl]-N-methylprop-2-enamide
CID 156833749
1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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 157156213
1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 157319531
1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-ethyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(4-methylpyrazol-1-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 157494000
1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-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-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 157499619
1-ethyl-3-[6-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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-ethyl-3-[6-pyridin-3-yl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea
CID 157653320
1-ethyl-3-[4-(4-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyrimidin-5-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(5-methyl-1H-pyrazol-3-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(4-methyl-2-pyridinyl)-6-[2-oxo-1-(2-oxobutyl)-4-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 157840908
1-[4-(6-amino-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;N-[6-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-2-pyridinyl]-N-methylacetamide;1-ethyl-3-[4-[6-(methylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 157869200

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea (CID 159112082) is 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cnc(OCc4cccnc4)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cncn3)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea?
The InChIKey is KEPWTLPEUYIILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9O2.C19H19N7O2.C17H16N8O/c1-2-25-22(33)31-21-29-18-9-16(10-19(20(18)30-21)32-8-4-7-28-32)17-12-26-23(27-13-17)34-14-15-5-3-6-24-11-15;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;1-2-20-17(26)24-16-22-13-6-12(11-4-3-5-18-8-11)7-14(15(13)23-16)25-10-19-9-21-25/h3-13H,2,14H2,1H3,(H3,25,29,30,31,33);4-11H,3H2,1-2H3,(H3,20,22,23,24,28);3-10H,2H2,1H3,(H3,20,22,23,24,26).
What are the key properties of 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea has a molecular weight of 1181.26 g/mol, XLogP of 7.92, 15 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-[2-(pyridin-3-ylmethoxy)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,2,4-triazol-1-yl)-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 159112082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).