N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C28H27N5O2 — CID 50765693

IUPACN-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3ccc(CCc4nc5ccccc5n4C)cc3)n2)cc1
InChIInChI=1S/C28H27N5O2/c1-19-7-12-21(13-8-19)28-31-27(35-32-28)18-17-26(34)29-22-14-9-20(10-15-22)11-16-25-30-23-5-3-4-6-24(23)33(25)2/h3-10,12-15H,11,16-18H2,1-2H3,(H,29,34)
InChIKeyCFZZTYUQKAEJBC-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.29
Rot. Bonds8

About N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 50765693) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID50765693
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC NameN-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3ccc(CCc4nc5ccccc5n4C)cc3)n2)cc1
InChIInChI=1S/C28H27N5O2/c1-19-7-12-21(13-8-19)28-31-27(35-32-28)18-17-26(34)29-22-14-9-20(10-15-22)11-16-25-30-23-5-3-4-6-24(23)33(25)2/h3-10,12-15H,11,16-18H2,1-2H3,(H,29,34)
InChIKeyCFZZTYUQKAEJBC-UHFFFAOYSA-N
XLogP5.29
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
N-(3,4-difluorophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9080473
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]propanamide
CID 50785748
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354607
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)propanamide
CID 3748253
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
CID 46290663
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 21264572

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 50765693) is N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)Nc3ccc(CCc4nc5ccccc5n4C)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is CFZZTYUQKAEJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-19-7-12-21(13-8-19)28-31-27(35-32-28)18-17-26(34)29-22-14-9-20(10-15-22)11-16-25-30-23-5-3-4-6-24(23)33(25)2/h3-10,12-15H,11,16-18H2,1-2H3,(H,29,34).
What are the key properties of N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 465.56 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 50765693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).