(1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H29N3O3 — CID 26741909

About (1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 26741909) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is (1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 26741909
• Molecular Formula: C28H29N3O3
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.22
• IUPAC Name: (1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(CCCn1ccnc1)C3=O
• InChI: InChI=1S/C28H29N3O3/c1-18-6-11-22-21(16-18)25(32)23-24(19-7-9-20(10-8-19)28(2,3)4)31(27(33)26(23)34-22)14-5-13-30-15-12-29-17-30/h6-12,15-17,24H,5,13-14H2,1-4H3/t24-/m1/s1
• InChIKey: FJTPGTCODYWECR-XMMPIXPASA-N
• XLogP: 5.23
• TPSA: 68.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of (1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 26741909) is (1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for (1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for (1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(CCCn1ccnc1)C3=O.

What is the InChIKey of (1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is FJTPGTCODYWECR-XMMPIXPASA-N. The full InChI is InChI=1S/C28H29N3O3/c1-18-6-11-22-21(16-18)25(32)23-24(19-7-9-20(10-8-19)28(2,3)4)31(27(33)26(23)34-22)14-5-13-30-15-12-29-17-30/h6-12,15-17,24H,5,13-14H2,1-4H3/t24-/m1/s1.

What are the key properties of (1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

(1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 455.56 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 26741909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).