[1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane

C19H21N2OP — CID 59080550

IUPAC[1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane
SMILES[3H]Oc1ccc(-c2nc3cc(P)ccc3n2C2CCCCC2)cc1
InChIInChI=1S/C19H21N2OP/c22-15-8-6-13(7-9-15)19-20-17-12-16(23)10-11-18(17)21(19)14-4-2-1-3-5-14/h6-12,14,22H,1-5,23H2/i/hT
InChIKeyLIVNXWKFAXLNDT-MNYXATJNSA-N
MW326.37 g/mol
LogP4.41
Rot. Bonds3

About [1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane

[1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane (PubChem CID 59080550) has the molecular formula C19H21N2OP and a molecular weight of 326.37 g/mol. Its IUPAC name is [1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane.

Molecular Properties

Compound Name[1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane
PubChem CID59080550
Molecular FormulaC19H21N2OP
Molecular Weight326.37 g/mol
Exact Mass326.15
IUPAC Name[1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane
SMILES[3H]Oc1ccc(-c2nc3cc(P)ccc3n2C2CCCCC2)cc1
InChIInChI=1S/C19H21N2OP/c22-15-8-6-13(7-9-15)19-20-17-12-16(23)10-11-18(17)21(19)14-4-2-1-3-5-14/h6-12,14,22H,1-5,23H2/i/hT
InChIKeyLIVNXWKFAXLNDT-MNYXATJNSA-N
XLogP4.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane?
The IUPAC name of [1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane (CID 59080550) is [1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane.
What is the SMILES notation for [1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane?
The canonical SMILES for [1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane is [3H]Oc1ccc(-c2nc3cc(P)ccc3n2C2CCCCC2)cc1.
What is the InChIKey of [1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane?
The InChIKey is LIVNXWKFAXLNDT-MNYXATJNSA-N. The full InChI is InChI=1S/C19H21N2OP/c22-15-8-6-13(7-9-15)19-20-17-12-16(23)10-11-18(17)21(19)14-4-2-1-3-5-14/h6-12,14,22H,1-5,23H2/i/hT.
What are the key properties of [1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane?
[1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane has a molecular weight of 326.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-2-(4-tritiooxyphenyl)benzimidazol-5-yl]phosphane is sourced from PubChem (CID 59080550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).