N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide

C25H27N3O2 — CID 153380256

About N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide

N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide (PubChem CID 153380256) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide.

Molecular Properties

• Compound Name: N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide
• PubChem CID: 153380256
• Molecular Formula: C25H27N3O2
• Molecular Weight: 401.51 g/mol
• Exact Mass: 401.21
• IUPAC Name: N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide
• SMILES: COc1cc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)cc(C)c1C
• InChI: InChI=1S/C25H27N3O2/c1-15-11-19(13-23(30-3)16(15)2)25(29)27-21-9-8-17-6-7-18(12-20(17)21)22-14-28-10-4-5-24(28)26-22/h6-7,11-14,21H,4-5,8-10H2,1-3H3,(H,27,29)/t21-/m1/s1
• InChIKey: JLTKCIFLPFDDRL-OAQYLSRUSA-N
• XLogP: 4.54
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.51
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide?

The IUPAC name of N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide (CID 153380256) is N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide.

What is the SMILES notation for N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide?

The canonical SMILES for N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide is COc1cc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)cc(C)c1C.

What is the InChIKey of N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide?

The InChIKey is JLTKCIFLPFDDRL-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-15-11-19(13-23(30-3)16(15)2)25(29)27-21-9-8-17-6-7-18(12-20(17)21)22-14-28-10-4-5-24(28)26-22/h6-7,11-14,21H,4-5,8-10H2,1-3H3,(H,27,29)/t21-/m1/s1.

What are the key properties of N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide?

N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide has a molecular weight of 401.51 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide is sourced from PubChem (CID 153380256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).