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

C25H23N5O — CID 46829698

IUPAC1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine
SMILESCc1ccccc1-c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1CN(C)C
InChIInChI=1S/C25H23N5O/c1-16-6-4-5-7-20(16)21-10-8-18(12-19(21)14-30(2)3)25-28-24(29-31-25)17-9-11-22-23(13-17)27-15-26-22/h4-13,15H,14H2,1-3H3,(H,26,27)
InChIKeyNFBMNIMYDPEWRG-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.32
Rot. Bonds5

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

1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine (PubChem CID 46829698) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine
PubChem CID46829698
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine
SMILESCc1ccccc1-c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1CN(C)C
InChIInChI=1S/C25H23N5O/c1-16-6-4-5-7-20(16)21-10-8-18(12-19(21)14-30(2)3)25-28-24(29-31-25)17-9-11-22-23(13-17)27-15-26-22/h4-13,15H,14H2,1-3H3,(H,26,27)
InChIKeyNFBMNIMYDPEWRG-UHFFFAOYSA-N
XLogP5.32
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine (CID 46829698) is 1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine is Cc1ccccc1-c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1CN(C)C.
What is the InChIKey of 1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is NFBMNIMYDPEWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-16-6-4-5-7-20(16)21-10-8-18(12-19(21)14-30(2)3)25-28-24(29-31-25)17-9-11-22-23(13-17)27-15-26-22/h4-13,15H,14H2,1-3H3,(H,26,27).
What are the key properties of 1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine?
1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 409.49 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 46829698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).