CID 143906188

C25H26BN2O2 — CID 143906188

IUPAC—
SMILESCC(C)(O)C(C)(C)O[B]c1cccc(-c2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C25H26BN2O2/c1-24(2,29)25(3,4)30-26-19-12-10-11-18(17-19)23-27-21-15-8-9-16-22(21)28(23)20-13-6-5-7-14-20/h5-17,29H,1-4H3
InChIKeyWVGLEBCXNIEOCR-UHFFFAOYSA-N
MW397.31 g/mol
LogP4.50
Rot. Bonds6

About CID 143906188

CID 143906188 (PubChem CID 143906188) has the molecular formula C25H26BN2O2 and a molecular weight of 397.31 g/mol.

Molecular Properties

Compound NameCID 143906188
PubChem CID143906188
Molecular FormulaC25H26BN2O2
Molecular Weight397.31 g/mol
Exact Mass397.21
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[B]c1cccc(-c2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C25H26BN2O2/c1-24(2,29)25(3,4)30-26-19-12-10-11-18(17-19)23-27-21-15-8-9-16-22(21)28(23)20-13-6-5-7-14-20/h5-17,29H,1-4H3
InChIKeyWVGLEBCXNIEOCR-UHFFFAOYSA-N
XLogP4.50
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 123965856
CID 123965856
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2-(3-ethenylphenyl)-1-phenylbenzimidazole
CID 89265101
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 102188971
9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 153452165
2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole
CID 173482225
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287

Frequently Asked Questions

What is the IUPAC name of CID 143906188?
The IUPAC name of CID 143906188 (CID 143906188) is not available.
What is the SMILES notation for CID 143906188?
The canonical SMILES for CID 143906188 is CC(C)(O)C(C)(C)O[B]c1cccc(-c2nc3ccccc3n2-c2ccccc2)c1.
What is the InChIKey of CID 143906188?
The InChIKey is WVGLEBCXNIEOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BN2O2/c1-24(2,29)25(3,4)30-26-19-12-10-11-18(17-19)23-27-21-15-8-9-16-22(21)28(23)20-13-6-5-7-14-20/h5-17,29H,1-4H3.
What are the key properties of CID 143906188?
CID 143906188 has a molecular weight of 397.31 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143906188 is sourced from PubChem (CID 143906188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).