2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine

C36H22N6O — CID 134394221

IUPAC2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-n2c(-c3nc(-c4nc5ccccc5n4-c4ccccc4)c4oc5ccccc5c4n3)nc3ccccc32)cc1
InChIInChI=1S/C36H22N6O/c1-3-13-23(14-4-1)41-28-20-10-8-18-26(28)37-35(41)32-33-31(25-17-7-12-22-30(25)43-33)39-34(40-32)36-38-27-19-9-11-21-29(27)42(36)24-15-5-2-6-16-24/h1-22H
InChIKeyFDEDOYWSCXWAGL-UHFFFAOYSA-N
MW554.61 g/mol
LogP8.39
Rot. Bonds4

About 2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine

2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 134394221) has the molecular formula C36H22N6O and a molecular weight of 554.61 g/mol. Its IUPAC name is 2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID134394221
Molecular FormulaC36H22N6O
Molecular Weight554.61 g/mol
Exact Mass554.19
IUPAC Name2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-n2c(-c3nc(-c4nc5ccccc5n4-c4ccccc4)c4oc5ccccc5c4n3)nc3ccccc32)cc1
InChIInChI=1S/C36H22N6O/c1-3-13-23(14-4-1)41-28-20-10-8-18-26(28)37-35(41)32-33-31(25-17-7-12-22-30(25)43-33)39-34(40-32)36-38-27-19-9-11-21-29(27)42(36)24-15-5-2-6-16-24/h1-22H
InChIKeyFDEDOYWSCXWAGL-UHFFFAOYSA-N
XLogP8.39
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.61
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 134394221) is 2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-n2c(-c3nc(-c4nc5ccccc5n4-c4ccccc4)c4oc5ccccc5c4n3)nc3ccccc32)cc1.
What is the InChIKey of 2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is FDEDOYWSCXWAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N6O/c1-3-13-23(14-4-1)41-28-20-10-8-18-26(28)37-35(41)32-33-31(25-17-7-12-22-30(25)43-33)39-34(40-32)36-38-27-19-9-11-21-29(27)42(36)24-15-5-2-6-16-24/h1-22H.
What are the key properties of 2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 554.61 g/mol, XLogP of 8.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 134394221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).