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

C25H25N3O2 — CID 118519225

IUPACN-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CNC(C)=O)cc21
InChIInChI=1S/C25H25N3O2/c1-3-28-23-16-19(17-26-18(2)29)14-15-22(23)27-24(28)25(30,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,30H,3,17H2,1-2H3,(H,26,29)
InChIKeyMYNWAKIQZGGDAR-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.98
Rot. Bonds6

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

N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide (PubChem CID 118519225) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide
PubChem CID118519225
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CNC(C)=O)cc21
InChIInChI=1S/C25H25N3O2/c1-3-28-23-16-19(17-26-18(2)29)14-15-22(23)27-24(28)25(30,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,30H,3,17H2,1-2H3,(H,26,29)
InChIKeyMYNWAKIQZGGDAR-UHFFFAOYSA-N
XLogP3.98
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide (CID 118519225) is N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CNC(C)=O)cc21.
What is the InChIKey of N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide?
The InChIKey is MYNWAKIQZGGDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-28-23-16-19(17-26-18(2)29)14-15-22(23)27-24(28)25(30,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,30H,3,17H2,1-2H3,(H,26,29).
What are the key properties of N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide?
N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide has a molecular weight of 399.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 118519225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).