3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole

C48H52N6O4 — CID 145351942

About 3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole

3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole (PubChem CID 145351942) has the molecular formula C48H52N6O4 and a molecular weight of 776.98 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole.

Molecular Properties

• Compound Name: 3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole
• PubChem CID: 145351942
• Molecular Formula: C48H52N6O4
• Molecular Weight: 776.98 g/mol
• Exact Mass: 776.41
• IUPAC Name: 3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole
• SMILES: CNC(=O)c1cccc(OC2CCCCC2)c1.O=C(NCC1c2ccccc2-c2cncn21)c1cccc(OC2CCCCC2)c1.c1ccc2c(c1)Cn1cncc1-2
• InChI: InChI=1S/C24H25N3O2.C14H19NO2.C10H8N2/c28-24(17-7-6-10-19(13-17)29-18-8-2-1-3-9-18)26-15-23-21-12-5-4-11-20(21)22-14-25-16-27(22)23;1-15-14(16)11-6-5-9-13(10-11)17-12-7-3-2-4-8-12;1-2-4-9-8(3-1)6-12-7-11-5-10(9)12/h4-7,10-14,16,18,23H,1-3,8-9,15H2,(H,26,28);5-6,9-10,12H,2-4,7-8H2,1H3,(H,15,16);1-5,7H,6H2
• InChIKey: FTHILILSXJXGBV-UHFFFAOYSA-N
• XLogP: 9.26
• TPSA: 112.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.98
LogP ≤ 5	9.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole?

The IUPAC name of 3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole (CID 145351942) is 3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole.

What is the SMILES notation for 3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole?

The canonical SMILES for 3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole is CNC(=O)c1cccc(OC2CCCCC2)c1.O=C(NCC1c2ccccc2-c2cncn21)c1cccc(OC2CCCCC2)c1.c1ccc2c(c1)Cn1cncc1-2.

What is the InChIKey of 3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole?

The InChIKey is FTHILILSXJXGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2.C14H19NO2.C10H8N2/c28-24(17-7-6-10-19(13-17)29-18-8-2-1-3-9-18)26-15-23-21-12-5-4-11-20(21)22-14-25-16-27(22)23;1-15-14(16)11-6-5-9-13(10-11)17-12-7-3-2-4-8-12;1-2-4-9-8(3-1)6-12-7-11-5-10(9)12/h4-7,10-14,16,18,23H,1-3,8-9,15H2,(H,26,28);5-6,9-10,12H,2-4,7-8H2,1H3,(H,15,16);1-5,7H,6H2.

What are the key properties of 3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole?

3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole has a molecular weight of 776.98 g/mol, XLogP of 9.26, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyloxy-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide;3-cyclohexyloxy-N-methylbenzamide;5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 145351942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).