[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane

C25H19N2P — CID 89051577

IUPAC[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc(-n3cnc4ccccc43)c2)cc1
InChIInChI=1S/C25H19N2P/c1-3-11-21(12-4-1)28(22-13-5-2-6-14-22)23-15-9-10-20(18-23)27-19-26-24-16-7-8-17-25(24)27/h1-19H
InChIKeyANSKKZRVJSTICK-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.78
Rot. Bonds4

About [3-(benzimidazol-1-yl)phenyl]-diphenylphosphane

[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane (PubChem CID 89051577) has the molecular formula C25H19N2P and a molecular weight of 378.42 g/mol. Its IUPAC name is [3-(benzimidazol-1-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane
PubChem CID89051577
Molecular FormulaC25H19N2P
Molecular Weight378.42 g/mol
Exact Mass378.13
IUPAC Name[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc(-n3cnc4ccccc43)c2)cc1
InChIInChI=1S/C25H19N2P/c1-3-11-21(12-4-1)28(22-13-5-2-6-14-22)23-15-9-10-20(18-23)27-19-26-24-16-7-8-17-25(24)27/h1-19H
InChIKeyANSKKZRVJSTICK-UHFFFAOYSA-N
XLogP4.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(benzimidazol-1-yl)phenyl]-diphenylphosphane 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

CID 149192166
CID 149192166
2-[3-(benzimidazol-1-yl)phenoxy]acetic acid
CID 82514442
3-[3-(benzimidazol-1-yl)phenyl]propanoic acid
CID 82514384
1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole
CID 18957886
1-(3H-benzimidazol-5-yl)benzimidazole
CID 67657705
1H-benzimidazole;1-(3-bromophenyl)benzimidazole;1,3-dibromobenzene
CID 162220915
4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid
CID 123739580
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole
CID 141095825
1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine
CID 130177862
2-amino-4-(benzimidazol-1-yl)phenol
CID 118185058
2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole
CID 155109069

Frequently Asked Questions

What is the IUPAC name of [3-(benzimidazol-1-yl)phenyl]-diphenylphosphane?
The IUPAC name of [3-(benzimidazol-1-yl)phenyl]-diphenylphosphane (CID 89051577) is [3-(benzimidazol-1-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [3-(benzimidazol-1-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [3-(benzimidazol-1-yl)phenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2cccc(-n3cnc4ccccc43)c2)cc1.
What is the InChIKey of [3-(benzimidazol-1-yl)phenyl]-diphenylphosphane?
The InChIKey is ANSKKZRVJSTICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N2P/c1-3-11-21(12-4-1)28(22-13-5-2-6-14-22)23-15-9-10-20(18-23)27-19-26-24-16-7-8-17-25(24)27/h1-19H.
What are the key properties of [3-(benzimidazol-1-yl)phenyl]-diphenylphosphane?
[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane has a molecular weight of 378.42 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzimidazol-1-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 89051577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).