N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide

C29H31Cl2N3O2 — CID 134369652

About N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide

N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide (PubChem CID 134369652) has the molecular formula C29H31Cl2N3O2 and a molecular weight of 524.49 g/mol. Its IUPAC name is N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide
• PubChem CID: 134369652
• Molecular Formula: C29H31Cl2N3O2
• Molecular Weight: 524.49 g/mol
• Exact Mass: 523.18
• IUPAC Name: N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide
• SMILES: O=C(Cc1ccc(Cl)c(Cl)c1)N(Cc1cc(-c2cn3c(n2)CCC3)ccc1OC1CCC1)CC1CC1
• InChI: InChI=1S/C29H31Cl2N3O2/c30-24-10-8-20(13-25(24)31)14-29(35)34(16-19-6-7-19)17-22-15-21(9-11-27(22)36-23-3-1-4-23)26-18-33-12-2-5-28(33)32-26/h8-11,13,15,18-19,23H,1-7,12,14,16-17H2
• InChIKey: PSFBUFWKSANDIK-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.49
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide?

The IUPAC name of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide (CID 134369652) is N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide.

What is the SMILES notation for N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide?

The canonical SMILES for N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)N(Cc1cc(-c2cn3c(n2)CCC3)ccc1OC1CCC1)CC1CC1.

What is the InChIKey of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide?

The InChIKey is PSFBUFWKSANDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31Cl2N3O2/c30-24-10-8-20(13-25(24)31)14-29(35)34(16-19-6-7-19)17-22-15-21(9-11-27(22)36-23-3-1-4-23)26-18-33-12-2-5-28(33)32-26/h8-11,13,15,18-19,23H,1-7,12,14,16-17H2.

What are the key properties of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide?

N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 524.49 g/mol, XLogP of 6.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 134369652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).