2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole

C29H28N4O — CID 118569255

IUPAC2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole
SMILESCC(C)c1ncc(-c2ccc3c(c2)COc2c-3ccc3cc(-c4cnc(C(C)C)[nH]4)ccc23)[nH]1
InChIInChI=1S/C29H28N4O/c1-16(2)28-30-13-25(32-28)19-7-9-23-18(11-19)5-10-24-22-8-6-20(12-21(22)15-34-27(23)24)26-14-31-29(33-26)17(3)4/h5-14,16-17H,15H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyQWZHRMNQKONZCJ-UHFFFAOYSA-N
MW448.57 g/mol
LogP7.43
Rot. Bonds4

About 2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole

2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole (PubChem CID 118569255) has the molecular formula C29H28N4O and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole
PubChem CID118569255
Molecular FormulaC29H28N4O
Molecular Weight448.57 g/mol
Exact Mass448.23
IUPAC Name2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole
SMILESCC(C)c1ncc(-c2ccc3c(c2)COc2c-3ccc3cc(-c4cnc(C(C)C)[nH]4)ccc23)[nH]1
InChIInChI=1S/C29H28N4O/c1-16(2)28-30-13-25(32-28)19-7-9-23-18(11-19)5-10-24-22-8-6-20(12-21(22)15-34-27(23)24)26-14-31-29(33-26)17(3)4/h5-14,16-17H,15H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyQWZHRMNQKONZCJ-UHFFFAOYSA-N
XLogP7.43
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole?
The IUPAC name of 2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole (CID 118569255) is 2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole.
What is the SMILES notation for 2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole?
The canonical SMILES for 2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole is CC(C)c1ncc(-c2ccc3c(c2)COc2c-3ccc3cc(-c4cnc(C(C)C)[nH]4)ccc23)[nH]1.
What is the InChIKey of 2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole?
The InChIKey is QWZHRMNQKONZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O/c1-16(2)28-30-13-25(32-28)19-7-9-23-18(11-19)5-10-24-22-8-6-20(12-21(22)15-34-27(23)24)26-14-31-29(33-26)17(3)4/h5-14,16-17H,15H2,1-4H3,(H,30,32)(H,31,33).
What are the key properties of 2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole?
2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole has a molecular weight of 448.57 g/mol, XLogP of 7.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole is sourced from PubChem (CID 118569255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).