[5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen

C22H25N4OP — CID 144977172

IUPAC[5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen
SMILESCc1ncc(-c2cc(C)c3c(c2)OCc2cc(-c4cnc(P)[nH]4)cc(C)c2-3)[nH]1.[H][H].[H][H]
InChIInChI=1S/C22H21N4OP.2H2/c1-11-4-14(18-9-24-22(28)26-18)6-16-10-27-19-7-15(17-8-23-13(3)25-17)5-12(2)21(19)20(11)16;;/h4-9H,10,28H2,1-3H3,(H,23,25)(H,24,26);2*1H
InChIKeyQBPCTUUWFMEPGX-UHFFFAOYSA-N
MW392.44 g/mol
LogP4.94
Rot. Bonds2

About [5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen

[5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen (PubChem CID 144977172) has the molecular formula C22H25N4OP and a molecular weight of 392.44 g/mol. Its IUPAC name is [5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen.

Molecular Properties

Compound Name[5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen
PubChem CID144977172
Molecular FormulaC22H25N4OP
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name[5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen
SMILESCc1ncc(-c2cc(C)c3c(c2)OCc2cc(-c4cnc(P)[nH]4)cc(C)c2-3)[nH]1.[H][H].[H][H]
InChIInChI=1S/C22H21N4OP.2H2/c1-11-4-14(18-9-24-22(28)26-18)6-16-10-27-19-7-15(17-8-23-13(3)25-17)5-12(2)21(19)20(11)16;;/h4-9H,10,28H2,1-3H3,(H,23,25)(H,24,26);2*1H
InChIKeyQBPCTUUWFMEPGX-UHFFFAOYSA-N
XLogP4.94
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.94
H-Bond Donors ≤ 52
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 [5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen?
The IUPAC name of [5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen (CID 144977172) is [5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen.
What is the SMILES notation for [5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen?
The canonical SMILES for [5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen is Cc1ncc(-c2cc(C)c3c(c2)OCc2cc(-c4cnc(P)[nH]4)cc(C)c2-3)[nH]1.[H][H].[H][H].
What is the InChIKey of [5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen?
The InChIKey is QBPCTUUWFMEPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N4OP.2H2/c1-11-4-14(18-9-24-22(28)26-18)6-16-10-27-19-7-15(17-8-23-13(3)25-17)5-12(2)21(19)20(11)16;;/h4-9H,10,28H2,1-3H3,(H,23,25)(H,24,26);2*1H.
What are the key properties of [5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen?
[5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen has a molecular weight of 392.44 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen is sourced from PubChem (CID 144977172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).