3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide

C47H46N10O2 — CID 155067658

IUPAC3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2cnc(NC(=O)c3cccc(Cn4cc(-c5cc(C)c(-c6cnc(NC(=O)c7ccc(Cn8cccn8)cc7)n6C)cc5C)cn4)c3)n2C)cc1C
InChIInChI=1S/C47H46N10O2/c1-29-18-31(3)40(19-30(29)2)42-24-49-47(54(42)6)53-45(59)37-11-8-10-35(22-37)27-57-28-38(23-51-57)39-20-33(5)41(21-32(39)4)43-25-48-46(55(43)7)52-44(58)36-14-12-34(13-15-36)26-56-17-9-16-50-56/h8-25,28H,26-27H2,1-7H3,(H,48,52,58)(H,49,53,59)
InChIKeySZSRPWJDPVKPIR-UHFFFAOYSA-N
MW782.95 g/mol
LogP8.69
Rot. Bonds11

About 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide

3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide (PubChem CID 155067658) has the molecular formula C47H46N10O2 and a molecular weight of 782.95 g/mol. Its IUPAC name is 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide
PubChem CID155067658
Molecular FormulaC47H46N10O2
Molecular Weight782.95 g/mol
Exact Mass782.38
IUPAC Name3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2cnc(NC(=O)c3cccc(Cn4cc(-c5cc(C)c(-c6cnc(NC(=O)c7ccc(Cn8cccn8)cc7)n6C)cc5C)cn4)c3)n2C)cc1C
InChIInChI=1S/C47H46N10O2/c1-29-18-31(3)40(19-30(29)2)42-24-49-47(54(42)6)53-45(59)37-11-8-10-35(22-37)27-57-28-38(23-51-57)39-20-33(5)41(21-32(39)4)43-25-48-46(55(43)7)52-44(58)36-14-12-34(13-15-36)26-56-17-9-16-50-56/h8-25,28H,26-27H2,1-7H3,(H,48,52,58)(H,49,53,59)
InChIKeySZSRPWJDPVKPIR-UHFFFAOYSA-N
XLogP8.69
TPSA129.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.95
LogP ≤ 58.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide with MolForge

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Related Compounds

N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 154681644
3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide
CID 155067659
3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide
CID 155067609
N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide
CID 154681643
N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-2-yloxybenzamide
CID 154681699
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19336525
1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19396361
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19398768
3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide
CID 17468530
N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50956025
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18138231

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide?
The IUPAC name of 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide (CID 155067658) is 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide.
What is the SMILES notation for 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide?
The canonical SMILES for 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide is Cc1cc(C)c(-c2cnc(NC(=O)c3cccc(Cn4cc(-c5cc(C)c(-c6cnc(NC(=O)c7ccc(Cn8cccn8)cc7)n6C)cc5C)cn4)c3)n2C)cc1C.
What is the InChIKey of 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide?
The InChIKey is SZSRPWJDPVKPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H46N10O2/c1-29-18-31(3)40(19-30(29)2)42-24-49-47(54(42)6)53-45(59)37-11-8-10-35(22-37)27-57-28-38(23-51-57)39-20-33(5)41(21-32(39)4)43-25-48-46(55(43)7)52-44(58)36-14-12-34(13-15-36)26-56-17-9-16-50-56/h8-25,28H,26-27H2,1-7H3,(H,48,52,58)(H,49,53,59).
What are the key properties of 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide?
3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide has a molecular weight of 782.95 g/mol, XLogP of 8.69, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide is sourced from PubChem (CID 155067658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).