1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone

C28H24N2Se — CID 171348709

IUPAC1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone
SMILESCCc1ccccc1-n1c(=[Se])n(C(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C28H24N2Se/c1-2-21-13-9-10-18-24(21)29-25-19-11-12-20-26(25)30(28(29)31)27(22-14-5-3-6-15-22)23-16-7-4-8-17-23/h3-20,27H,2H2,1H3
InChIKeySUSNEUSZWHDEMB-UHFFFAOYSA-N
MW467.47 g/mol
LogP6.33
Rot. Bonds5

About 1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone

1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone (PubChem CID 171348709) has the molecular formula C28H24N2Se and a molecular weight of 467.47 g/mol. Its IUPAC name is 1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone.

Molecular Properties

Compound Name1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone
PubChem CID171348709
Molecular FormulaC28H24N2Se
Molecular Weight467.47 g/mol
Exact Mass468.11
IUPAC Name1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone
SMILESCCc1ccccc1-n1c(=[Se])n(C(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C28H24N2Se/c1-2-21-13-9-10-18-24(21)29-25-19-11-12-20-26(25)30(28(29)31)27(22-14-5-3-6-15-22)23-16-7-4-8-17-23/h3-20,27H,2H2,1H3
InChIKeySUSNEUSZWHDEMB-UHFFFAOYSA-N
XLogP6.33
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.47
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

GNF-Pf-4385
CID 759333
1-Ethyl-2,3-dimethyl-2-phenylbenzimidazole
CID 3124417
Benzimidazolone scaffold, 8b
CID 42618254
Benzimidazolone scaffold, 8e
CID 42618257
Benzimidazolone scaffold, 8f
CID 42618258
1,3-Bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide
CID 53376043
1,2,3-Trimethyl-2-phenyl-2,3-dihydro-1H-benzoimidazole
CID 799470
2,3-Dihydro-1,3-dimethyl-2-phenyl-1H-benzimidazole
CID 199049
1,2,3-Trimethyl-2-naphthalen-1-yl-2,3-dihydro-1H-benzoimidazole
CID 2256105
US11479560, Title ww5-80
CID 156272467
4-(1,3-Dimethyl-2,3-dihydro-1H-benzimidazol-2-yl)-N,N-diphenylaniline
CID 97046956
4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline
CID 680312

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone?
The IUPAC name of 1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone (CID 171348709) is 1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone.
What is the SMILES notation for 1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone?
The canonical SMILES for 1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone is CCc1ccccc1-n1c(=[Se])n(C(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone?
The InChIKey is SUSNEUSZWHDEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2Se/c1-2-21-13-9-10-18-24(21)29-25-19-11-12-20-26(25)30(28(29)31)27(22-14-5-3-6-15-22)23-16-7-4-8-17-23/h3-20,27H,2H2,1H3.
What are the key properties of 1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone?
1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone has a molecular weight of 467.47 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selone is sourced from PubChem (CID 171348709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).