1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole

C32H30N4 — CID 71361521

IUPAC1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole
SMILESCCCn1c(-c2ccccc2-c2ccccc2-c2nc3ccccc3n2CCC)nc2ccccc21
InChIInChI=1S/C32H30N4/c1-3-21-35-29-19-11-9-17-27(29)33-31(35)25-15-7-5-13-23(25)24-14-6-8-16-26(24)32-34-28-18-10-12-20-30(28)36(32)22-4-2/h5-20H,3-4,21-22H2,1-2H3
InChIKeyMMZIFDHZGIIZGY-UHFFFAOYSA-N
MW470.62 g/mol
LogP8.21
Rot. Bonds7

About 1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole

1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole (PubChem CID 71361521) has the molecular formula C32H30N4 and a molecular weight of 470.62 g/mol. Its IUPAC name is 1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole
PubChem CID71361521
Molecular FormulaC32H30N4
Molecular Weight470.62 g/mol
Exact Mass470.25
IUPAC Name1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole
SMILESCCCn1c(-c2ccccc2-c2ccccc2-c2nc3ccccc3n2CCC)nc2ccccc21
InChIInChI=1S/C32H30N4/c1-3-21-35-29-19-11-9-17-27(29)33-31(35)25-15-7-5-13-23(25)24-14-6-8-16-26(24)32-34-28-18-10-12-20-30(28)36(32)22-4-2/h5-20H,3-4,21-22H2,1-2H3
InChIKeyMMZIFDHZGIIZGY-UHFFFAOYSA-N
XLogP8.21
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole 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 1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole?
The IUPAC name of 1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole (CID 71361521) is 1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole.
What is the SMILES notation for 1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole?
The canonical SMILES for 1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole is CCCn1c(-c2ccccc2-c2ccccc2-c2nc3ccccc3n2CCC)nc2ccccc21.
What is the InChIKey of 1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole?
The InChIKey is MMZIFDHZGIIZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4/c1-3-21-35-29-19-11-9-17-27(29)33-31(35)25-15-7-5-13-23(25)24-14-6-8-16-26(24)32-34-28-18-10-12-20-30(28)36(32)22-4-2/h5-20H,3-4,21-22H2,1-2H3.
What are the key properties of 1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole?
1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole has a molecular weight of 470.62 g/mol, XLogP of 8.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-[2-[2-(1-propylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole is sourced from PubChem (CID 71361521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).