ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate

C26H26N2O2 — CID 7996375

IUPACethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(CC(c1ccccc1)c1ccccc1)n2CC
InChIInChI=1S/C26H26N2O2/c1-3-28-24-16-15-21(26(29)30-4-2)17-23(24)27-25(28)18-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-17,22H,3-4,18H2,1-2H3
InChIKeyXDOWZTTXRMOSHH-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.61
Rot. Bonds7

About ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate

ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate (PubChem CID 7996375) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate
PubChem CID7996375
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Nameethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(CC(c1ccccc1)c1ccccc1)n2CC
InChIInChI=1S/C26H26N2O2/c1-3-28-24-16-15-21(26(29)30-4-2)17-23(24)27-25(28)18-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-17,22H,3-4,18H2,1-2H3
InChIKeyXDOWZTTXRMOSHH-UHFFFAOYSA-N
XLogP5.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1R)-2-ethoxy-2-oxo-1-phenylethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate
CID 7845779
ethyl 2-[(4-tert-butylphenoxy)methyl]-1-ethylbenzimidazole-5-carboxylate
CID 4291889
methyl 1,2-diethylbenzimidazole-5-carboxylate
CID 167201887
ethyl 1-ethyl-2-[(2-fluorophenyl)methylsulfanyl]benzimidazole-5-carboxylate
CID 4683127
ethyl 1-ethyl-2-[2-(methylamino)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate
CID 3987529
ethyl 4-[[5-[hydroxy(phenyl)methyl]-2-propylbenzimidazol-1-yl]methyl]benzoate
CID 15546117
ethyl 2-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate
CID 7845773
ethyl 2-[(1-ethylbenzimidazol-2-yl)methyl]butanoate
CID 79753663
ethyl 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18680819
ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate
CID 4848495
1-ethyl-2-(pyrimidin-2-ylsulfanylmethyl)benzimidazole-5-carboxylic acid
CID 2100918
(2-fluorophenyl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990718

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate?
The IUPAC name of ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate (CID 7996375) is ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(CC(c1ccccc1)c1ccccc1)n2CC.
What is the InChIKey of ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate?
The InChIKey is XDOWZTTXRMOSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-3-28-24-16-15-21(26(29)30-4-2)17-23(24)27-25(28)18-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-17,22H,3-4,18H2,1-2H3.
What are the key properties of ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate?
ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate has a molecular weight of 398.51 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate is sourced from PubChem (CID 7996375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).