1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole

C27H18N2 — CID 122363283

IUPAC1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole
SMILESC(#Cc1ccccc1-c1nc2ccccc2n1-c1ccccc1)c1ccccc1
InChIInChI=1S/C27H18N2/c1-3-11-21(12-4-1)19-20-22-13-7-8-16-24(22)27-28-25-17-9-10-18-26(25)29(27)23-14-5-2-6-15-23/h1-18H
InChIKeyDANSWQXTBSVICY-UHFFFAOYSA-N
MW370.46 g/mol
LogP6.09
Rot. Bonds2

About 1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole

1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole (PubChem CID 122363283) has the molecular formula C27H18N2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole
PubChem CID122363283
Molecular FormulaC27H18N2
Molecular Weight370.46 g/mol
Exact Mass370.15
IUPAC Name1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole
SMILESC(#Cc1ccccc1-c1nc2ccccc2n1-c1ccccc1)c1ccccc1
InChIInChI=1S/C27H18N2/c1-3-11-21(12-4-1)19-20-22-13-7-8-16-24(22)27-28-25-17-9-10-18-26(25)29(27)23-14-5-2-6-15-23/h1-18H
InChIKeyDANSWQXTBSVICY-UHFFFAOYSA-N
XLogP6.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-phenyl-2-[2-(2-phenylethynyl)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

Related Compounds

1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
lithium 2-(1-phenylbenzimidazol-2-yl)phenolate
CID 118618865
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
[2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite
CID 129164240
1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole
CID 58947640
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488060
11,12-diphenyl-5-(1-phenylbenzimidazol-2-yl)indolo[2,3-a]carbazole
CID 163519466

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole (CID 122363283) is 1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole is C(#Cc1ccccc1-c1nc2ccccc2n1-c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole?
The InChIKey is DANSWQXTBSVICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2/c1-3-11-21(12-4-1)19-20-22-13-7-8-16-24(22)27-28-25-17-9-10-18-26(25)29(27)23-14-5-2-6-15-23/h1-18H.
What are the key properties of 1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole?
1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole has a molecular weight of 370.46 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole is sourced from PubChem (CID 122363283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).