10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline

C34H29N3O — CID 176752056

IUPAC10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2c4ccncc4ccc32)nc2ccccc21
InChIInChI=1S/C34H29N3O/c1-20(2)23-9-7-10-24(21(3)4)31(23)37-30-14-6-5-13-29(30)36-34(37)28-12-8-11-26-27-16-15-22-19-35-18-17-25(22)32(27)38-33(26)28/h5-21H,1-4H3
InChIKeyQMWYVVBEHMZZBP-UHFFFAOYSA-N
MW495.63 g/mol
LogP9.39
Rot. Bonds4

About 10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline

10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline (PubChem CID 176752056) has the molecular formula C34H29N3O and a molecular weight of 495.63 g/mol. Its IUPAC name is 10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline.

Molecular Properties

Compound Name10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline
PubChem CID176752056
Molecular FormulaC34H29N3O
Molecular Weight495.63 g/mol
Exact Mass495.23
IUPAC Name10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2c4ccncc4ccc32)nc2ccccc21
InChIInChI=1S/C34H29N3O/c1-20(2)23-9-7-10-24(21(3)4)31(23)37-30-14-6-5-13-29(30)36-34(37)28-12-8-11-26-27-16-15-22-19-35-18-17-25(22)32(27)38-33(26)28/h5-21H,1-4H3
InChIKeyQMWYVVBEHMZZBP-UHFFFAOYSA-N
XLogP9.39
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline 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-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 156659584
trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane
CID 176583988
1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole
CID 167339206
[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
trimethyl-[4-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]phenyl]germane
CID 168743438
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176751448
2-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 171461671
8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 156668797
2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176784424
2-naphtho[1,2-b][1]benzofuran-10-yl-1-phenylimidazo[4,5-c]pyridine
CID 164824950

Frequently Asked Questions

What is the IUPAC name of 10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline?
The IUPAC name of 10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline (CID 176752056) is 10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline.
What is the SMILES notation for 10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline?
The canonical SMILES for 10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline is CC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2c4ccncc4ccc32)nc2ccccc21.
What is the InChIKey of 10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline?
The InChIKey is QMWYVVBEHMZZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O/c1-20(2)23-9-7-10-24(21(3)4)31(23)37-30-14-6-5-13-29(30)36-34(37)28-12-8-11-26-27-16-15-22-19-35-18-17-25(22)32(27)38-33(26)28/h5-21H,1-4H3.
What are the key properties of 10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline?
10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline has a molecular weight of 495.63 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline is sourced from PubChem (CID 176752056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).