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

C31H37N3O3 — CID 134369638

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

N-[[2-cyclohexyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide (PubChem CID 134369638) has the molecular formula C31H37N3O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-[[2-cyclohexyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[[2-cyclohexyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
• PubChem CID: 134369638
• Molecular Formula: C31H37N3O3
• Molecular Weight: 499.66 g/mol
• Exact Mass: 499.28
• IUPAC Name: N-[[2-cyclohexyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
• SMILES: COc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCCCC2)CC2CC2)c1
• InChI: InChI=1S/C31H37N3O3/c1-36-27-10-5-7-24(18-27)31(35)34(19-22-12-13-22)20-25-17-23(28-21-33-16-6-11-30(33)32-28)14-15-29(25)37-26-8-3-2-4-9-26/h5,7,10,14-15,17-18,21-22,26H,2-4,6,8-9,11-13,16,19-20H2,1H3
• InChIKey: PLJBCCFYXOIZTQ-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 56.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.66
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[[2-cyclohexyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide (CID 134369638) is N-[[2-cyclohexyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide.

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

The canonical SMILES for N-[[2-cyclohexyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCCCC2)CC2CC2)c1.

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

The InChIKey is PLJBCCFYXOIZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O3/c1-36-27-10-5-7-24(18-27)31(35)34(19-22-12-13-22)20-25-17-23(28-21-33-16-6-11-30(33)32-28)14-15-29(25)37-26-8-3-2-4-9-26/h5,7,10,14-15,17-18,21-22,26H,2-4,6,8-9,11-13,16,19-20H2,1H3.

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

N-[[2-cyclohexyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide has a molecular weight of 499.66 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-cyclohexyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide is sourced from PubChem (CID 134369638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).