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]benzamide

C42H38N6O2 — CID 166438446

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]benzamide
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)Nc2ccccc2C2=NCCO2)cc1
InChIInChI=1S/C42H38N6O2/c1-4-11-38-46-39-27(2)24-30(40-44-35-16-9-10-17-36(35)47(40)3)25-37(39)48(38)26-28-18-20-29(21-19-28)31-12-5-6-13-32(31)41(49)45-34-15-8-7-14-33(34)42-43-22-23-50-42/h5-10,12-21,24-25H,4,11,22-23,26H2,1-3H3,(H,45,49)
InChIKeyXSPDUVHCKCUKNX-UHFFFAOYSA-N
MW658.81 g/mol
LogP8.60
Rot. Bonds9

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]benzamide

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]benzamide (PubChem CID 166438446) has the molecular formula C42H38N6O2 and a molecular weight of 658.81 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]benzamide.

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]benzamide
PubChem CID166438446
Molecular FormulaC42H38N6O2
Molecular Weight658.81 g/mol
Exact Mass658.31
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]benzamide
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)Nc2ccccc2C2=NCCO2)cc1
InChIInChI=1S/C42H38N6O2/c1-4-11-38-46-39-27(2)24-30(40-44-35-16-9-10-17-36(35)47(40)3)25-37(39)48(38)26-28-18-20-29(21-19-28)31-12-5-6-13-32(31)41(49)45-34-15-8-7-14-33(34)42-43-22-23-50-42/h5-10,12-21,24-25H,4,11,22-23,26H2,1-3H3,(H,45,49)
InChIKeyXSPDUVHCKCUKNX-UHFFFAOYSA-N
XLogP8.60
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.81
LogP ≤ 58.60
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]benzamide with MolForge

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Related Compounds

Telmisartan
CID 65999
Methyl 2-ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-biphenyl-4-yl)methyl)-1H-benz-imidazole-7-carboxylate
CID 135723831
4'-[[2-n-Propyl-6-(1-methylbenzimidazol-2-yl)-benzimidazol-1-yl]methyl]biphenyl-2-carboxylic acid
CID 10051708
methyl 2-butyl-6-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 19792197
N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 46910494
methyl 9-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57395486
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-acetyl-4-[(6-methyl-1H-benzimidazol-2-yl)amino]pyrrolidin-3-yl] 4-phenylbenzoate
CID 72946536
[(3S,4S)-1-benzoyl-4-[(6-methyl-1H-benzimidazol-2-yl)amino]pyrrolidin-3-yl] 4-phenylbenzoate
CID 72946537
1H-Benzimidazole-7-carboxylic acid, 1-[[2a(2)-(2,5-dihydro-5-oxo-1,2,4-thiadiazol-3-yl)[1,1a(2)-biphenyl]-4-yl]methyl]-2-ethoxy-, methyl ester
CID 135423981
2-[4-[[6-(Benzylcarbamoyl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 57380213
2-[4-[[6-[2-(2-Fluorophenyl)ethylcarbamoyl]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 57380648

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]benzamide?
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]benzamide (CID 166438446) 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]benzamide.
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]benzamide?
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]benzamide is CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=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]benzamide?
The InChIKey is XSPDUVHCKCUKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N6O2/c1-4-11-38-46-39-27(2)24-30(40-44-35-16-9-10-17-36(35)47(40)3)25-37(39)48(38)26-28-18-20-29(21-19-28)31-12-5-6-13-32(31)41(49)45-34-15-8-7-14-33(34)42-43-22-23-50-42/h5-10,12-21,24-25H,4,11,22-23,26H2,1-3H3,(H,45,49).
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]benzamide?
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]benzamide has a molecular weight of 658.81 g/mol, XLogP of 8.60, 9 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]benzamide is sourced from PubChem (CID 166438446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).