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

C64H63N21O5 — CID 157494000

IUPAC1-[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
SMILESCCNC(=O)Nc1nc2c(-n3cc(C)cn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(Cc4ccccc4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C25H23N7O2.C20H21N7O2.C19H19N7O/c1-2-26-25(34)30-24-28-20-13-19(14-21(23(20)29-24)32-11-6-10-27-32)18-9-12-31(22(33)15-18)16-17-7-4-3-5-8-17;1-3-21-20(29)25-19-23-15-10-14(13-6-9-26(4-2)17(28)12-13)11-16(18(15)24-19)27-8-5-7-22-27;1-3-21-19(27)25-18-23-15-7-14(13-5-4-6-20-10-13)8-16(17(15)24-18)26-11-12(2)9-22-26/h3-15H,2,16H2,1H3,(H3,26,28,29,30,34);5-12H,3-4H2,1-2H3,(H3,21,23,24,25,29);4-11H,3H2,1-2H3,(H3,21,23,24,25,27)
InChIKeyBXPLCGLPTNXIRM-UHFFFAOYSA-N
MW1206.35 g/mol
LogP9.77
Rot. Bonds15

About 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

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 (PubChem CID 157494000) has the molecular formula C64H63N21O5 and a molecular weight of 1206.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157494000
Molecular FormulaC64H63N21O5
Molecular Weight1206.35 g/mol
Exact Mass1205.53
IUPAC Name1-[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
SMILESCCNC(=O)Nc1nc2c(-n3cc(C)cn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(Cc4ccccc4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C25H23N7O2.C20H21N7O2.C19H19N7O/c1-2-26-25(34)30-24-28-20-13-19(14-21(23(20)29-24)32-11-6-10-27-32)18-9-12-31(22(33)15-18)16-17-7-4-3-5-8-17;1-3-21-20(29)25-19-23-15-10-14(13-6-9-26(4-2)17(28)12-13)11-16(18(15)24-19)27-8-5-7-22-27;1-3-21-19(27)25-18-23-15-7-14(13-5-4-6-20-10-13)8-16(17(15)24-18)26-11-12(2)9-22-26/h3-15H,2,16H2,1H3,(H3,26,28,29,30,34);5-12H,3-4H2,1-2H3,(H3,21,23,24,25,29);4-11H,3H2,1-2H3,(H3,21,23,24,25,27)
InChIKeyBXPLCGLPTNXIRM-UHFFFAOYSA-N
XLogP9.77
TPSA319.78 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001206.35
LogP ≤ 59.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11314018
3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyrimidin-5-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11393909
1-[4-[[2-[[6-(1-ethylpyrazol-4-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 129245517
3,3,3-trifluoro-1-[4-[[2-[[6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]propan-1-one
CID 129246130
N-{3-[5-(1-{1-[(1-Methyl-1H-pyrazol-4-yl)carbonyl]piperidin-4-yl}-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]phenyl}-N'-(2,2,2-trifluoroethyl)urea
CID 57387172
US10213427, Example 26
CID 57387175
N-[3-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-5-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 89501391
N-[3-(2,4-difluorophenyl)-5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 117777573
N-[3-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]benzimidazol-1-yl]-5-pyrazol-1-ylphenyl]acetamide
CID 117777712
1-ethyl-3-(5-fluoro-4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 11164422
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CID 163288454

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNC(=O)Nc1nc2c(-n3cc(C)cn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(Cc4ccccc4)c(=O)c3)cc2[nH]1.
What is the InChIKey of 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?
The InChIKey is BXPLCGLPTNXIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2.C20H21N7O2.C19H19N7O/c1-2-26-25(34)30-24-28-20-13-19(14-21(23(20)29-24)32-11-6-10-27-32)18-9-12-31(22(33)15-18)16-17-7-4-3-5-8-17;1-3-21-20(29)25-19-23-15-10-14(13-6-9-26(4-2)17(28)12-13)11-16(18(15)24-19)27-8-5-7-22-27;1-3-21-19(27)25-18-23-15-7-14(13-5-4-6-20-10-13)8-16(17(15)24-18)26-11-12(2)9-22-26/h3-15H,2,16H2,1H3,(H3,26,28,29,30,34);5-12H,3-4H2,1-2H3,(H3,21,23,24,25,29);4-11H,3H2,1-2H3,(H3,21,23,24,25,27).
What are the key properties of 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?
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 has a molecular weight of 1206.35 g/mol, XLogP of 9.77, 15 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157494000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).