(2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane

C15H23N2P — CID 129197665

IUPAC(2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane
SMILESCC(C)(C)c1nc2cc(P)c(C(C)(C)C)cc2[nH]1
InChIInChI=1S/C15H23N2P/c1-14(2,3)9-7-10-11(8-12(9)18)17-13(16-10)15(4,5)6/h7-8H,18H2,1-6H3,(H,16,17)
InChIKeyIZHJGUFFBWLGMN-UHFFFAOYSA-N
MW262.34 g/mol
LogP3.66
Rot. Bonds

About (2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane

(2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane (PubChem CID 129197665) has the molecular formula C15H23N2P and a molecular weight of 262.34 g/mol. Its IUPAC name is (2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane.

Molecular Properties

Compound Name(2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane
PubChem CID129197665
Molecular FormulaC15H23N2P
Molecular Weight262.34 g/mol
Exact Mass262.16
IUPAC Name(2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane
SMILESCC(C)(C)c1nc2cc(P)c(C(C)(C)C)cc2[nH]1
InChIInChI=1S/C15H23N2P/c1-14(2,3)9-7-10-11(8-12(9)18)17-13(16-10)15(4,5)6/h7-8H,18H2,1-6H3,(H,16,17)
InChIKeyIZHJGUFFBWLGMN-UHFFFAOYSA-N
XLogP3.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Parbendazole
CID 26596
Bendazol
CID 12132
5,6-Dimethylbenzimidazole
CID 675
2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
5-Methylbenzimidazole
CID 11979
Benzimidazole, 2-butyl-
CID 22122
2-Ethylbenzimidazole
CID 15807
Bis(5-amidino-2-benzimidazolyl)methane
CID 2387
Pf-06305591
CID 71666749
2-tert-Butylbenzimidazole
CID 32366
2-(4-Fluoro-phenyl)-1H-benzoimidazole
CID 101259

Frequently Asked Questions

What is the IUPAC name of (2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane?
The IUPAC name of (2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane (CID 129197665) is (2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane.
What is the SMILES notation for (2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane?
The canonical SMILES for (2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane is CC(C)(C)c1nc2cc(P)c(C(C)(C)C)cc2[nH]1.
What is the InChIKey of (2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane?
The InChIKey is IZHJGUFFBWLGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N2P/c1-14(2,3)9-7-10-11(8-12(9)18)17-13(16-10)15(4,5)6/h7-8H,18H2,1-6H3,(H,16,17).
What are the key properties of (2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane?
(2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane has a molecular weight of 262.34 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane is sourced from PubChem (CID 129197665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).