N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide

C45H40Br2N10O2 — CID 154681639

IUPACN-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1cc(Br)c(-c2cnc(NC(=O)c3cccc(Cn4cc(-c5cc(C)c(-c6cnc(NC(=O)c7cccc(Cn8cccn8)c7)n6C)cc5Br)cn4)c3)n2C)cc1C
InChIInChI=1S/C45H40Br2N10O2/c1-27-15-37(38(46)17-28(27)2)41-23-49-45(55(41)5)53-43(59)33-12-7-10-31(19-33)25-57-26-34(21-51-57)36-16-29(3)35(20-39(36)47)40-22-48-44(54(40)4)52-42(58)32-11-6-9-30(18-32)24-56-14-8-13-50-56/h6-23,26H,24-25H2,1-5H3,(H,48,52,58)(H,49,53,59)
InChIKeySSOPAIOUGJQGBO-UHFFFAOYSA-N
MW912.69 g/mol
LogP9.60
Rot. Bonds11

About N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide

N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 154681639) has the molecular formula C45H40Br2N10O2 and a molecular weight of 912.69 g/mol. Its IUPAC name is N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID154681639
Molecular FormulaC45H40Br2N10O2
Molecular Weight912.69 g/mol
Exact Mass910.17
IUPAC NameN-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1cc(Br)c(-c2cnc(NC(=O)c3cccc(Cn4cc(-c5cc(C)c(-c6cnc(NC(=O)c7cccc(Cn8cccn8)c7)n6C)cc5Br)cn4)c3)n2C)cc1C
InChIInChI=1S/C45H40Br2N10O2/c1-27-15-37(38(46)17-28(27)2)41-23-49-45(55(41)5)53-43(59)33-12-7-10-31(19-33)25-57-26-34(21-51-57)36-16-29(3)35(20-39(36)47)40-22-48-44(54(40)4)52-42(58)32-11-6-9-30(18-32)24-56-14-8-13-50-56/h6-23,26H,24-25H2,1-5H3,(H,48,52,58)(H,49,53,59)
InChIKeySSOPAIOUGJQGBO-UHFFFAOYSA-N
XLogP9.60
TPSA129.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.69
LogP ≤ 59.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide (CID 154681639) is N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide is Cc1cc(Br)c(-c2cnc(NC(=O)c3cccc(Cn4cc(-c5cc(C)c(-c6cnc(NC(=O)c7cccc(Cn8cccn8)c7)n6C)cc5Br)cn4)c3)n2C)cc1C.
What is the InChIKey of N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is SSOPAIOUGJQGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H40Br2N10O2/c1-27-15-37(38(46)17-28(27)2)41-23-49-45(55(41)5)53-43(59)33-12-7-10-31(19-33)25-57-26-34(21-51-57)36-16-29(3)35(20-39(36)47)40-22-48-44(54(40)4)52-42(58)32-11-6-9-30(18-32)24-56-14-8-13-50-56/h6-23,26H,24-25H2,1-5H3,(H,48,52,58)(H,49,53,59).
What are the key properties of N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide?
N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 912.69 g/mol, XLogP of 9.60, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-bromo-4-[1-[[3-[[5-(2-bromo-4,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-4-yl]-2-methylphenyl]-1-methylimidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 154681639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).