2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide

C25H25N3O3 — CID 126726256

IUPAC2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCC(=O)NC)cc21
InChIInChI=1S/C25H25N3O3/c1-3-28-22-16-20(31-17-23(29)26-2)14-15-21(22)27-24(28)25(30,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,30H,3,17H2,1-2H3,(H,26,29)
InChIKeyVSNHWDOMLWYDIL-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.47
Rot. Bonds7

About 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide

2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide (PubChem CID 126726256) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide.

Molecular Properties

Compound Name2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide
PubChem CID126726256
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCC(=O)NC)cc21
InChIInChI=1S/C25H25N3O3/c1-3-28-22-16-20(31-17-23(29)26-2)14-15-21(22)27-24(28)25(30,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,30H,3,17H2,1-2H3,(H,26,29)
InChIKeyVSNHWDOMLWYDIL-UHFFFAOYSA-N
XLogP3.47
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide?
The IUPAC name of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide (CID 126726256) is 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide.
What is the SMILES notation for 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide?
The canonical SMILES for 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCC(=O)NC)cc21.
What is the InChIKey of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide?
The InChIKey is VSNHWDOMLWYDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-3-28-22-16-20(31-17-23(29)26-2)14-15-21(22)27-24(28)25(30,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,30H,3,17H2,1-2H3,(H,26,29).
What are the key properties of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide?
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide has a molecular weight of 415.49 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxy-N-methylacetamide is sourced from PubChem (CID 126726256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).