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

C32H39N3O3 — CID 153380266

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

N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-ethyl-5-methoxy-4-methylbenzamide (PubChem CID 153380266) has the molecular formula C32H39N3O3 and a molecular weight of 513.68 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)-3-ethyl-5-methoxy-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-ethyl-5-methoxy-4-methylbenzamide
• PubChem CID: 153380266
• Molecular Formula: C32H39N3O3
• Molecular Weight: 513.68 g/mol
• Exact Mass: 513.30
• IUPAC Name: N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-ethyl-5-methoxy-4-methylbenzamide
• SMILES: CCc1cc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)CC2CC2)cc(OC)c1C
• InChI: InChI=1S/C32H39N3O3/c1-4-23-15-25(17-30(37-3)21(23)2)32(36)35(18-22-10-11-22)19-26-16-24(12-13-29(26)38-27-7-5-8-27)28-20-34-14-6-9-31(34)33-28/h12-13,15-17,20,22,27H,4-11,14,18-19H2,1-3H3
• InChIKey: QVYIHWACSANZIV-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 56.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.68
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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)-3-ethyl-5-methoxy-4-methylbenzamide?

The IUPAC name of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-ethyl-5-methoxy-4-methylbenzamide (CID 153380266) is N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-ethyl-5-methoxy-4-methylbenzamide.

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)-3-ethyl-5-methoxy-4-methylbenzamide?

The canonical SMILES for N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-ethyl-5-methoxy-4-methylbenzamide is CCc1cc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)CC2CC2)cc(OC)c1C.

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

The InChIKey is QVYIHWACSANZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O3/c1-4-23-15-25(17-30(37-3)21(23)2)32(36)35(18-22-10-11-22)19-26-16-24(12-13-29(26)38-27-7-5-8-27)28-20-34-14-6-9-31(34)33-28/h12-13,15-17,20,22,27H,4-11,14,18-19H2,1-3H3.

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)-3-ethyl-5-methoxy-4-methylbenzamide?

N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-ethyl-5-methoxy-4-methylbenzamide has a molecular weight of 513.68 g/mol, XLogP of 6.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 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)-3-ethyl-5-methoxy-4-methylbenzamide is sourced from PubChem (CID 153380266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).