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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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).