1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea

C81H79N29O7S — CID 158331347

IUPAC1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea
SMILESCCN(CC)C(=O)Nc1nc2c(-n3cccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3nccs3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(=O)n(C)c(=O)n3C)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(Cc4ccccn4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C24H22N8O2.C20H21N7O.C19H20N8O3.C18H16N6OS/c1-2-25-24(34)30-23-28-19-12-17(13-20(22(19)29-23)32-10-5-9-27-32)16-7-11-31(21(33)14-16)15-18-6-3-4-8-26-18;1-3-26(4-2)20(28)25-19-23-16-11-15(14-7-5-8-21-13-14)12-17(18(16)24-19)27-10-6-9-22-27;1-4-20-18(29)24-17-22-12-8-11(13-10-15(28)26(3)19(30)25(13)2)9-14(16(12)23-17)27-7-5-6-21-27;1-2-20-18(25)24-17-22-14-9-12(11-4-3-5-19-10-11)8-13(15(14)23-17)16-21-6-7-26-16/h3-14H,2,15H2,1H3,(H3,25,28,29,30,34);5-13H,3-4H2,1-2H3,(H2,23,24,25,28);5-10H,4H2,1-3H3,(H3,20,22,23,24,29);3-10H,2H2,1H3,(H3,20,22,23,24,25)
InChIKeyGQAXBHMLGVIXEY-UHFFFAOYSA-N
MW1602.79 g/mol
LogP11.69
Rot. Bonds19

About 1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea

1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea (PubChem CID 158331347) has the molecular formula C81H79N29O7S and a molecular weight of 1602.79 g/mol. Its IUPAC name is 1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea
PubChem CID158331347
Molecular FormulaC81H79N29O7S
Molecular Weight1602.79 g/mol
Exact Mass1601.64
IUPAC Name1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea
SMILESCCN(CC)C(=O)Nc1nc2c(-n3cccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3nccs3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(=O)n(C)c(=O)n3C)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(Cc4ccccn4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C24H22N8O2.C20H21N7O.C19H20N8O3.C18H16N6OS/c1-2-25-24(34)30-23-28-19-12-17(13-20(22(19)29-23)32-10-5-9-27-32)16-7-11-31(21(33)14-16)15-18-6-3-4-8-26-18;1-3-26(4-2)20(28)25-19-23-16-11-15(14-7-5-8-21-13-14)12-17(18(16)24-19)27-10-6-9-22-27;1-4-20-18(29)24-17-22-12-8-11(13-10-15(28)26(3)19(30)25(13)2)9-14(16(12)23-17)27-7-5-6-21-27;1-2-20-18(25)24-17-22-14-9-12(11-4-3-5-19-10-11)8-13(15(14)23-17)16-21-6-7-26-16/h3-14H,2,15H2,1H3,(H3,25,28,29,30,34);5-13H,3-4H2,1-2H3,(H2,23,24,25,28);5-10H,4H2,1-3H3,(H3,20,22,23,24,29);3-10H,2H2,1H3,(H3,20,22,23,24,25)
InChIKeyGQAXBHMLGVIXEY-UHFFFAOYSA-N
XLogP11.69
TPSA441.47 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001602.79
LogP ≤ 511.69
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-dihydroindol-2-one;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3-(trifluoromethyl)benzene
CID 157627259
2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(1H-imidazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 177118049
2-[5-[4-[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperazin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(1H-imidazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 177118071
2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(1H-imidazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 177118073
N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide
CID 137053559
2-(dimethylamino)-N-[5-[3-[4-[5-[5-[5-[[2-(dimethylamino)acetyl]amino]-3-pyridinyl]-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-7-yl]thiophen-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137087386
3-methyl-N-[5-[7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]thiophen-3-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137119455
2-[2-(1H-indol-2-yl)-1-(1,8-naphthyridin-2-yl)-7-piperazin-1-yl-4-(7H-purin-2-yl)-6-(1H-pyrazol-3-yl)benzimidazol-5-yl]-1,3-thiazole
CID 141287360
(2S)-1-[2-(1,5-dimethylbenzimidazol-2-yl)sulfanylacetyl]-N-[5-[4-[3,6-dimethyl-2-[2-[(2S)-2-[(1-methyl-4-phenylpyrazol-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]sulfanylbenzimidazol-4-yl]phenyl]-2-methyl-1,3-thiazol-4-yl]pyrrolidine-2-carboxamide
CID 143338661
N-[5-[3-[4-[5-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-7-yl]thiophen-3-yl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 145033427
N-[5-[3-[4-[5-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 145034371
3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[2-methyl-6-(4-methyl-3-pyridinyl)-1,2-dihydroquinolin-4-yl]-3,4-dihydroimidazo[4,5-b]azepin-8-yl]thiophen-3-yl]-3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]indazol-5-yl]-3-pyridinyl]butanamide
CID 145036703

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea (CID 158331347) is 1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea is CCN(CC)C(=O)Nc1nc2c(-n3cccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3nccs3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(=O)n(C)c(=O)n3C)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(Cc4ccccn4)c(=O)c3)cc2[nH]1.
What is the InChIKey of 1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea?
The InChIKey is GQAXBHMLGVIXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O2.C20H21N7O.C19H20N8O3.C18H16N6OS/c1-2-25-24(34)30-23-28-19-12-17(13-20(22(19)29-23)32-10-5-9-27-32)16-7-11-31(21(33)14-16)15-18-6-3-4-8-26-18;1-3-26(4-2)20(28)25-19-23-16-11-15(14-7-5-8-21-13-14)12-17(18(16)24-19)27-10-6-9-22-27;1-4-20-18(29)24-17-22-12-8-11(13-10-15(28)26(3)19(30)25(13)2)9-14(16(12)23-17)27-7-5-6-21-27;1-2-20-18(25)24-17-22-14-9-12(11-4-3-5-19-10-11)8-13(15(14)23-17)16-21-6-7-26-16/h3-14H,2,15H2,1H3,(H3,25,28,29,30,34);5-13H,3-4H2,1-2H3,(H2,23,24,25,28);5-10H,4H2,1-3H3,(H3,20,22,23,24,29);3-10H,2H2,1H3,(H3,20,22,23,24,25).
What are the key properties of 1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea?
1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea has a molecular weight of 1602.79 g/mol, XLogP of 11.69, 19 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 158331347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).