N-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide

C25H24N4O — CID 143864394

IUPACN-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide
SMILESO=CNCc1nnc(CCc2ccccc2)n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24N4O/c30-19-26-17-25-28-27-24(16-13-20-7-3-1-4-8-20)29(25)18-21-11-14-23(15-12-21)22-9-5-2-6-10-22/h1-12,14-15,19H,13,16-18H2,(H,26,30)
InChIKeyKKFRHXXZRAVSBC-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.02
Rot. Bonds9

About N-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide

N-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide (PubChem CID 143864394) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide
PubChem CID143864394
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide
SMILESO=CNCc1nnc(CCc2ccccc2)n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24N4O/c30-19-26-17-25-28-27-24(16-13-20-7-3-1-4-8-20)29(25)18-21-11-14-23(15-12-21)22-9-5-2-6-10-22/h1-12,14-15,19H,13,16-18H2,(H,26,30)
InChIKeyKKFRHXXZRAVSBC-UHFFFAOYSA-N
XLogP4.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(4-phenylphenyl)methyl]formamide
CID 54112237
N-[[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]formamide;5-methyl-1,2-dihydronaphthalene;2-methylpropan-2-amine
CID 143864372
N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide
CID 2986832
N-benzylformamide
CID 139060556
N-[(1R)-1-[4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]formamide
CID 89007657
1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 83895262
methane;N-(2-phenylethyl)formamide
CID 143644399
4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 4985670
2,4-dioxo-3-(2-phenylethyl)-1-[(4-phenylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbaldehyde
CID 87529917
2-benzyl-N-[(4-benzyl-5-propyl-1,2,4-triazol-3-yl)methyl]-3-sulfanylpropanamide
CID 141217309
benzene-1,2-diol;N-benzylformamide
CID 174601153
1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde
CID 140992531

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide?
The IUPAC name of N-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide (CID 143864394) is N-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide.
What is the SMILES notation for N-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide?
The canonical SMILES for N-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide is O=CNCc1nnc(CCc2ccccc2)n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide?
The InChIKey is KKFRHXXZRAVSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c30-19-26-17-25-28-27-24(16-13-20-7-3-1-4-8-20)29(25)18-21-11-14-23(15-12-21)22-9-5-2-6-10-22/h1-12,14-15,19H,13,16-18H2,(H,26,30).
What are the key properties of N-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide?
N-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide has a molecular weight of 396.49 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide is sourced from PubChem (CID 143864394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).