4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide

C25H27N7O2 — CID 167474235

About 4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide

4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide (PubChem CID 167474235) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide
• PubChem CID: 167474235
• Molecular Formula: C25H27N7O2
• Molecular Weight: 457.54 g/mol
• Exact Mass: 457.22
• IUPAC Name: 4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide
• SMILES: Cn1cc(COc2ccc(-c3cn(C(=O)NCC4CCN(c5ccccc5)C4)cn3)cc2)nn1
• InChI: InChI=1S/C25H27N7O2/c1-30-15-21(28-29-30)17-34-23-9-7-20(8-10-23)24-16-32(18-27-24)25(33)26-13-19-11-12-31(14-19)22-5-3-2-4-6-22/h2-10,15-16,18-19H,11-14,17H2,1H3,(H,26,33)
• InChIKey: HAEXSGZBLXKHGO-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 90.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.54
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide?

The IUPAC name of 4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide (CID 167474235) is 4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide.

What is the SMILES notation for 4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide?

The canonical SMILES for 4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide is Cn1cc(COc2ccc(-c3cn(C(=O)NCC4CCN(c5ccccc5)C4)cn3)cc2)nn1.

What is the InChIKey of 4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide?

The InChIKey is HAEXSGZBLXKHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-30-15-21(28-29-30)17-34-23-9-7-20(8-10-23)24-16-32(18-27-24)25(33)26-13-19-11-12-31(14-19)22-5-3-2-4-6-22/h2-10,15-16,18-19H,11-14,17H2,1H3,(H,26,33).

What are the key properties of 4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide?

4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide is sourced from PubChem (CID 167474235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).