diphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane

C23H21N2OP — CID 102127914

IUPACdiphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane
SMILESc1ccc(P(O[C@H]2CCCn3c2nc2ccccc23)c2ccccc2)cc1
InChIInChI=1S/C23H21N2OP/c1-3-10-18(11-4-1)27(19-12-5-2-6-13-19)26-22-16-9-17-25-21-15-8-7-14-20(21)24-23(22)25/h1-8,10-15,22H,9,16-17H2/t22-/m0/s1
InChIKeyPNDPGQGNRPGUGV-QFIPXVFZSA-N
MW372.41 g/mol
LogP4.94
Rot. Bonds4

About diphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane

diphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane (PubChem CID 102127914) has the molecular formula C23H21N2OP and a molecular weight of 372.41 g/mol. Its IUPAC name is diphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane.

Molecular Properties

Compound Namediphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane
PubChem CID102127914
Molecular FormulaC23H21N2OP
Molecular Weight372.41 g/mol
Exact Mass372.14
IUPAC Namediphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane
SMILESc1ccc(P(O[C@H]2CCCn3c2nc2ccccc23)c2ccccc2)cc1
InChIInChI=1S/C23H21N2OP/c1-3-10-18(11-4-1)27(19-12-5-2-6-13-19)26-22-16-9-17-25-21-15-8-7-14-20(21)24-23(22)25/h1-8,10-15,22H,9,16-17H2/t22-/m0/s1
InChIKeyPNDPGQGNRPGUGV-QFIPXVFZSA-N
XLogP4.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
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 diphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane?
The IUPAC name of diphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane (CID 102127914) is diphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane.
What is the SMILES notation for diphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane?
The canonical SMILES for diphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane is c1ccc(P(O[C@H]2CCCn3c2nc2ccccc23)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane?
The InChIKey is PNDPGQGNRPGUGV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21N2OP/c1-3-10-18(11-4-1)27(19-12-5-2-6-13-19)26-22-16-9-17-25-21-15-8-7-14-20(21)24-23(22)25/h1-8,10-15,22H,9,16-17H2/t22-/m0/s1.
What are the key properties of diphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane?
diphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane has a molecular weight of 372.41 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[[(4S)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl]oxy]phosphane is sourced from PubChem (CID 102127914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).