1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione

C32H29ClFN5O3 — CID 178141643

About 1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione

1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 178141643) has the molecular formula C32H29ClFN5O3 and a molecular weight of 586.07 g/mol. Its IUPAC name is 1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
• PubChem CID: 178141643
• Molecular Formula: C32H29ClFN5O3
• Molecular Weight: 586.07 g/mol
• Exact Mass: 585.19
• IUPAC Name: 1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
• SMILES: Cn1c(N2CCC(=O)NC2=O)cnc1-c1cccc2c1CCC2N1Cc2ccc(OCc3c(F)cccc3Cl)cc2C1
• InChI: InChI=1S/C32H29ClFN5O3/c1-37-30(39-13-12-29(40)36-32(39)41)15-35-31(37)24-5-2-4-23-22(24)10-11-28(23)38-16-19-8-9-21(14-20(19)17-38)42-18-25-26(33)6-3-7-27(25)34/h2-9,14-15,28H,10-13,16-18H2,1H3,(H,36,40,41)
• InChIKey: ZTJZWNOYEWOUEY-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.07
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione?

The IUPAC name of 1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione (CID 178141643) is 1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione.

What is the SMILES notation for 1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione?

The canonical SMILES for 1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione is Cn1c(N2CCC(=O)NC2=O)cnc1-c1cccc2c1CCC2N1Cc2ccc(OCc3c(F)cccc3Cl)cc2C1.

What is the InChIKey of 1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione?

The InChIKey is ZTJZWNOYEWOUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClFN5O3/c1-37-30(39-13-12-29(40)36-32(39)41)15-35-31(37)24-5-2-4-23-22(24)10-11-28(23)38-16-19-8-9-21(14-20(19)17-38)42-18-25-26(33)6-3-7-27(25)34/h2-9,14-15,28H,10-13,16-18H2,1H3,(H,36,40,41).

What are the key properties of 1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione?

1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 586.07 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 178141643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).