2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole

C28H26N4O — CID 118569264

IUPAC2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole
SMILESCC(C)c1ncc(-c2ccc3c(ccc4c5ccc(-c6cnc(C(C)C)[nH]6)cc5oc34)c2)[nH]1
InChIInChI=1S/C28H26N4O/c1-15(2)27-29-13-23(31-27)18-6-8-20-17(11-18)5-10-22-21-9-7-19(12-25(21)33-26(20)22)24-14-30-28(32-24)16(3)4/h5-16H,1-4H3,(H,29,31)(H,30,32)
InChIKeyVEVKUWWYGDDDAU-UHFFFAOYSA-N
MW434.54 g/mol
LogP7.77
Rot. Bonds4

About 2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole

2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole (PubChem CID 118569264) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole
PubChem CID118569264
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC Name2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole
SMILESCC(C)c1ncc(-c2ccc3c(ccc4c5ccc(-c6cnc(C(C)C)[nH]6)cc5oc34)c2)[nH]1
InChIInChI=1S/C28H26N4O/c1-15(2)27-29-13-23(31-27)18-6-8-20-17(11-18)5-10-22-21-9-7-19(12-25(21)33-26(20)22)24-14-30-28(32-24)16(3)4/h5-16H,1-4H3,(H,29,31)(H,30,32)
InChIKeyVEVKUWWYGDDDAU-UHFFFAOYSA-N
XLogP7.77
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole
CID 118569263
4-[5-(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[10,9-b]furan-10-yl]-1,3-dihydroimidazole-2-thione
CID 146518315
2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole
CID 67992792
N-methyl-1-[[5-[5-(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]oxazol-10-yl]-1H-imidazol-2-yl]sulfanyl]methanamine
CID 146518822
1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine
CID 116876598
3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine
CID 65231002
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
[5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde
CID 59610149
4-propan-2-yl-10-[6-(2-propan-2-yl-1H-imidazol-5-yl)quinolin-2-yl]-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene
CID 157065670
4-propan-2-yl-15-[6-(2-propan-2-yl-1H-imidazol-5-yl)-1-benzothiophen-2-yl]-3,5,8,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaene
CID 134269837
2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 146781542

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole?
The IUPAC name of 2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole (CID 118569264) is 2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole.
What is the SMILES notation for 2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole?
The canonical SMILES for 2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole is CC(C)c1ncc(-c2ccc3c(ccc4c5ccc(-c6cnc(C(C)C)[nH]6)cc5oc34)c2)[nH]1.
What is the InChIKey of 2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole?
The InChIKey is VEVKUWWYGDDDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O/c1-15(2)27-29-13-23(31-27)18-6-8-20-17(11-18)5-10-22-21-9-7-19(12-25(21)33-26(20)22)24-14-30-28(32-24)16(3)4/h5-16H,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole?
2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole has a molecular weight of 434.54 g/mol, XLogP of 7.77, 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-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole is sourced from PubChem (CID 118569264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).