2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

C24H26N6O — CID 42793566

IUPAC2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCn1ccnc1CN(Cc1cccc(-c2ccccc2)c1)C(=O)C(C)(C)n1cncn1
InChIInChI=1S/C24H26N6O/c1-24(2,30-18-25-17-27-30)23(31)29(16-22-26-12-13-28(22)3)15-19-8-7-11-21(14-19)20-9-5-4-6-10-20/h4-14,17-18H,15-16H2,1-3H3
InChIKeySXQYRASGCJODHR-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.64
Rot. Bonds7

About 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 42793566) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID42793566
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCn1ccnc1CN(Cc1cccc(-c2ccccc2)c1)C(=O)C(C)(C)n1cncn1
InChIInChI=1S/C24H26N6O/c1-24(2,30-18-25-17-27-30)23(31)29(16-22-26-12-13-28(22)3)15-19-8-7-11-21(14-19)20-9-5-4-6-10-20/h4-14,17-18H,15-16H2,1-3H3
InChIKeySXQYRASGCJODHR-UHFFFAOYSA-N
XLogP3.64
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 42793566) is 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is Cn1ccnc1CN(Cc1cccc(-c2ccccc2)c1)C(=O)C(C)(C)n1cncn1.
What is the InChIKey of 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is SXQYRASGCJODHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-24(2,30-18-25-17-27-30)23(31)29(16-22-26-12-13-28(22)3)15-19-8-7-11-21(14-19)20-9-5-4-6-10-20/h4-14,17-18H,15-16H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 414.51 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 42793566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).