N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C25H21N5O2 — CID 18277864

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)NCCc4nc5ccccc5[nH]4)cc3)o2)cc1
InChIInChI=1S/C25H21N5O2/c1-16-6-8-18(9-7-16)24-29-30-25(32-24)19-12-10-17(11-13-19)23(31)26-15-14-22-27-20-4-2-3-5-21(20)28-22/h2-13H,14-15H2,1H3,(H,26,31)(H,27,28)
InChIKeyVMZMFTLFBDZVLM-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.56
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 18277864) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID18277864
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)NCCc4nc5ccccc5[nH]4)cc3)o2)cc1
InChIInChI=1S/C25H21N5O2/c1-16-6-8-18(9-7-16)24-29-30-25(32-24)19-12-10-17(11-13-19)23(31)26-15-14-22-27-20-4-2-3-5-21(20)28-22/h2-13H,14-15H2,1H3,(H,26,31)(H,27,28)
InChIKeyVMZMFTLFBDZVLM-UHFFFAOYSA-N
XLogP4.56
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 134032779
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4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
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N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide
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CID 21008890

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 18277864) is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccc(-c2nnc(-c3ccc(C(=O)NCCc4nc5ccccc5[nH]4)cc3)o2)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is VMZMFTLFBDZVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-16-6-8-18(9-7-16)24-29-30-25(32-24)19-12-10-17(11-13-19)23(31)26-15-14-22-27-20-4-2-3-5-21(20)28-22/h2-13H,14-15H2,1H3,(H,26,31)(H,27,28).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 423.48 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 18277864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).