8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol

C23H19IN2O — CID 90756207

IUPAC8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol
SMILESOc1cc(I)cc2c1nc1n2CCC(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H19IN2O/c24-19-13-20-23(21(27)14-19)25-22-12-18(10-11-26(20)22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,13-14,18,27H,10-12H2
InChIKeyXKZJEVXRPWWIHS-UHFFFAOYSA-N
MW466.32 g/mol
LogP5.74
Rot. Bonds2

About 8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol

8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol (PubChem CID 90756207) has the molecular formula C23H19IN2O and a molecular weight of 466.32 g/mol. Its IUPAC name is 8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol.

Molecular Properties

Compound Name8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol
PubChem CID90756207
Molecular FormulaC23H19IN2O
Molecular Weight466.32 g/mol
Exact Mass466.05
IUPAC Name8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol
SMILESOc1cc(I)cc2c1nc1n2CCC(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H19IN2O/c24-19-13-20-23(21(27)14-19)25-22-12-18(10-11-26(20)22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,13-14,18,27H,10-12H2
InChIKeyXKZJEVXRPWWIHS-UHFFFAOYSA-N
XLogP5.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.32
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol?
The IUPAC name of 8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol (CID 90756207) is 8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol.
What is the SMILES notation for 8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol?
The canonical SMILES for 8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol is Oc1cc(I)cc2c1nc1n2CCC(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol?
The InChIKey is XKZJEVXRPWWIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19IN2O/c24-19-13-20-23(21(27)14-19)25-22-12-18(10-11-26(20)22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,13-14,18,27H,10-12H2.
What are the key properties of 8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol?
8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol has a molecular weight of 466.32 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol is sourced from PubChem (CID 90756207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).