CID 59549293

C23H19BN2O — CID 59549293

IUPAC—
SMILES[B]C(O)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19BN2O/c24-22(27)21-16-25-17-26(21)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,22,27H
InChIKeyPTJSMVJLULMSEC-UHFFFAOYSA-N
MW350.23 g/mol
LogP3.88
Rot. Bonds5

About CID 59549293

CID 59549293 (PubChem CID 59549293) has the molecular formula C23H19BN2O and a molecular weight of 350.23 g/mol.

Molecular Properties

Compound NameCID 59549293
PubChem CID59549293
Molecular FormulaC23H19BN2O
Molecular Weight350.23 g/mol
Exact Mass350.16
IUPAC Name—
SMILES[B]C(O)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19BN2O/c24-22(27)21-16-25-17-26(21)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,22,27H
InChIKeyPTJSMVJLULMSEC-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-tritylimidazol-4-yl)prop-2-en-1-ol
CID 166068296
2-(3-tritylimidazol-4-yl)propan-1-amine
CID 169163524
bis(3-tritylimidazol-4-yl)methanone
CID 174611093
5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole
CID 71049713
(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol
CID 130300555
2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile
CID 54284261
(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal
CID 130300340
2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal
CID 130300341
6-(3-tritylimidazol-4-yl)hexanoic acid
CID 164717420
2-(cyclopropylmethyl)-3-oxo-3-(3-tritylimidazol-4-yl)propanal
CID 54534419
2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(3-tritylimidazol-4-yl)ethanol
CID 71268624
(NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine
CID 87891589

Frequently Asked Questions

What is the IUPAC name of CID 59549293?
The IUPAC name of CID 59549293 (CID 59549293) is not available.
What is the SMILES notation for CID 59549293?
The canonical SMILES for CID 59549293 is [B]C(O)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 59549293?
The InChIKey is PTJSMVJLULMSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BN2O/c24-22(27)21-16-25-17-26(21)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,22,27H.
What are the key properties of CID 59549293?
CID 59549293 has a molecular weight of 350.23 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59549293 is sourced from PubChem (CID 59549293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).