N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide

C25H22N6O — CID 86916477

IUPACN-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCC(c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C25H22N6O/c1-18(29(2)25(32)20-9-13-22(14-10-20)31-16-26-15-28-31)19-7-11-21(12-8-19)30-17-27-23-5-3-4-6-24(23)30/h3-18H,1-2H3
InChIKeyNIWPDKMELQCYBB-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.44
Rot. Bonds5

About N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide

N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 86916477) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID86916477
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC NameN-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCC(c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C25H22N6O/c1-18(29(2)25(32)20-9-13-22(14-10-20)31-16-26-15-28-31)19-7-11-21(12-8-19)30-17-27-23-5-3-4-6-24(23)30/h3-18H,1-2H3
InChIKeyNIWPDKMELQCYBB-UHFFFAOYSA-N
XLogP4.44
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N,4-dimethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9470834
4-(benzotriazol-1-ylmethyl)-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 27164974
4-N-methyl-4-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46613787
N-methyl-4-phenoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 55383558
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 86916473
methyl 4-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]benzoate
CID 9471114
4-cyano-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17419687
N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide
CID 42263428
N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 9471169
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
CID 86975244
N-methyl-4-(methylsulfonylmethyl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471187
3,5-difluoro-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471095

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide (CID 86916477) is N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide is CC(c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is NIWPDKMELQCYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-18(29(2)25(32)20-9-13-22(14-10-20)31-16-26-15-28-31)19-7-11-21(12-8-19)30-17-27-23-5-3-4-6-24(23)30/h3-18H,1-2H3.
What are the key properties of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide?
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 422.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 86916477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).