N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-5-methylbenzamide

C22H23N3O2 — CID 134369668

About N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-5-methylbenzamide

N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-5-methylbenzamide (PubChem CID 134369668) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-5-methylbenzamide.

Molecular Properties

• Compound Name: N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-5-methylbenzamide
• PubChem CID: 134369668
• Molecular Formula: C22H23N3O2
• Molecular Weight: 361.45 g/mol
• Exact Mass: 361.18
• IUPAC Name: N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-5-methylbenzamide
• SMILES: COc1cc(C)cc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)c1
• InChI: InChI=1S/C22H23N3O2/c1-15-9-18(12-19(10-15)27-2)22(26)23-13-16-5-3-6-17(11-16)20-14-25-8-4-7-21(25)24-20/h3,5-6,9-12,14H,4,7-8,13H2,1-2H3,(H,23,26)
• InChIKey: BOBQZWKOBBWGCV-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.45
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-5-methylbenzamide (CID 134369668) is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-5-methylbenzamide.

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

The canonical SMILES for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-5-methylbenzamide is COc1cc(C)cc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)c1.

What is the InChIKey of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-5-methylbenzamide?

The InChIKey is BOBQZWKOBBWGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-9-18(12-19(10-15)27-2)22(26)23-13-16-5-3-6-17(11-16)20-14-25-8-4-7-21(25)24-20/h3,5-6,9-12,14H,4,7-8,13H2,1-2H3,(H,23,26).

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

N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-5-methylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-5-methylbenzamide is sourced from PubChem (CID 134369668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).