1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole

C23H31N2OP — CID 175168108

IUPAC1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole
SMILESCCCCCN1C=CN(P(=O)(c2ccccc2)c2ccccc2)C1CCC
InChIInChI=1S/C23H31N2OP/c1-3-5-12-18-24-19-20-25(23(24)13-4-2)27(26,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,19-20,23H,3-5,12-13,18H2,1-2H3
InChIKeyARARPPFBQUMZNZ-UHFFFAOYSA-N
MW382.49 g/mol
LogP5.32
Rot. Bonds9

About 1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole

1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole (PubChem CID 175168108) has the molecular formula C23H31N2OP and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole.

Molecular Properties

Compound Name1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole
PubChem CID175168108
Molecular FormulaC23H31N2OP
Molecular Weight382.49 g/mol
Exact Mass382.22
IUPAC Name1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole
SMILESCCCCCN1C=CN(P(=O)(c2ccccc2)c2ccccc2)C1CCC
InChIInChI=1S/C23H31N2OP/c1-3-5-12-18-24-19-20-25(23(24)13-4-2)27(26,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,19-20,23H,3-5,12-13,18H2,1-2H3
InChIKeyARARPPFBQUMZNZ-UHFFFAOYSA-N
XLogP5.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69387822
1-pentadecyl-2-propyl-3-undecyl-2H-imidazole
CID 69395009
1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole
CID 69388828
1-decyl-3-dodecyl-2-propyl-2H-imidazole
CID 69387094
1-octadecyl-2,3-dipropyl-2H-imidazole
CID 69386966
1,2-dipropyl-3-tridecyl-2H-imidazole
CID 69391339
2-benzyl-1-dodecyl-3-nonadecyl-2H-imidazole
CID 69388408
2-benzyl-1-decyl-3-hexadecyl-2H-imidazole
CID 69396919
2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69390233
1-dodecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388228
1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388930
1-dodecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69395234

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole?
The IUPAC name of 1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole (CID 175168108) is 1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole.
What is the SMILES notation for 1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole?
The canonical SMILES for 1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole is CCCCCN1C=CN(P(=O)(c2ccccc2)c2ccccc2)C1CCC.
What is the InChIKey of 1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole?
The InChIKey is ARARPPFBQUMZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N2OP/c1-3-5-12-18-24-19-20-25(23(24)13-4-2)27(26,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,19-20,23H,3-5,12-13,18H2,1-2H3.
What are the key properties of 1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole?
1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole has a molecular weight of 382.49 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole is sourced from PubChem (CID 175168108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).