N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide

C48H42N6O2 — CID 166442656

IUPACN-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2cccc(-c3ccccc3)c2C(=O)Nc2ccccc2C2=NCCO2)cc1
InChIInChI=1S/C48H42N6O2/c1-4-13-43-52-45-31(2)28-35(46-50-40-20-10-11-21-41(40)53(46)3)29-42(45)54(43)30-32-22-24-34(25-23-32)37-18-12-17-36(33-14-6-5-7-15-33)44(37)47(55)51-39-19-9-8-16-38(39)48-49-26-27-56-48/h5-12,14-25,28-29H,4,13,26-27,30H2,1-3H3,(H,51,55)
InChIKeyYGWBOSJUNLBOKX-UHFFFAOYSA-N
MW734.90 g/mol
LogP10.26
Rot. Bonds10

About N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide

N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide (PubChem CID 166442656) has the molecular formula C48H42N6O2 and a molecular weight of 734.90 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide
PubChem CID166442656
Molecular FormulaC48H42N6O2
Molecular Weight734.90 g/mol
Exact Mass734.34
IUPAC NameN-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2cccc(-c3ccccc3)c2C(=O)Nc2ccccc2C2=NCCO2)cc1
InChIInChI=1S/C48H42N6O2/c1-4-13-43-52-45-31(2)28-35(46-50-40-20-10-11-21-41(40)53(46)3)29-42(45)54(43)30-32-22-24-34(25-23-32)37-18-12-17-36(33-14-6-5-7-15-33)44(37)47(55)51-39-19-9-8-16-38(39)48-49-26-27-56-48/h5-12,14-25,28-29H,4,13,26-27,30H2,1-3H3,(H,51,55)
InChIKeyYGWBOSJUNLBOKX-UHFFFAOYSA-N
XLogP10.26
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 510.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide with MolForge

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Related Compounds

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4'-[[2-n-Propyl-6-(1-methylbenzimidazol-2-yl)-benzimidazol-1-yl]methyl]biphenyl-2-carboxylic acid
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methyl 2-butyl-6-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 19792197
N-[(2-methoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 70686409
[(3S,4S)-1-benzoyl-4-[(6-methyl-1H-benzimidazol-2-yl)amino]pyrrolidin-3-yl] 4-phenylbenzoate
CID 72946537
2-[4-[[6-(Benzylcarbamoyl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 57380213
N-[(1R)-2-hydroxy-1-phenylethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 71623945
2-[4-[[4-Methyl-6-(2-phenylethylcarbamoyl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 73346386
2-[4-[[4-Methyl-6-(3-phenylpropylcarbamoyl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 73350990
2-[4-[[4-Methyl-6-(3-morpholin-4-ylpropylcarbamoyl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 73353933
2-[4-[[4-Methyl-6-(2-morpholin-4-ylethylcarbamoyl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 73355474
2-[4-[[4-Methyl-6-[(4-methylphenyl)carbamoyl]-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 73357018

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide?
The IUPAC name of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide (CID 166442656) is N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide is CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2cccc(-c3ccccc3)c2C(=O)Nc2ccccc2C2=NCCO2)cc1.
What is the InChIKey of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide?
The InChIKey is YGWBOSJUNLBOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N6O2/c1-4-13-43-52-45-31(2)28-35(46-50-40-20-10-11-21-41(40)53(46)3)29-42(45)54(43)30-32-22-24-34(25-23-32)37-18-12-17-36(33-14-6-5-7-15-33)44(37)47(55)51-39-19-9-8-16-38(39)48-49-26-27-56-48/h5-12,14-25,28-29H,4,13,26-27,30H2,1-3H3,(H,51,55).
What are the key properties of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide?
N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide has a molecular weight of 734.90 g/mol, XLogP of 10.26, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]-6-phenylbenzamide is sourced from PubChem (CID 166442656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).