N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide

C25H25N3O2 — CID 110396269

IUPACN-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide
SMILESCn1c(=O)n(CCNC(=O)CC(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H25N3O2/c1-27-22-14-8-9-15-23(22)28(25(27)30)17-16-26-24(29)18-21(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,21H,16-18H2,1H3,(H,26,29)
InChIKeyWHBPNLKJDRQYEF-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.68
Rot. Bonds7

About N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide

N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide (PubChem CID 110396269) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide
PubChem CID110396269
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide
SMILESCn1c(=O)n(CCNC(=O)CC(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H25N3O2/c1-27-22-14-8-9-15-23(22)28(25(27)30)17-16-26-24(29)18-21(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,21H,16-18H2,1H3,(H,26,29)
InChIKeyWHBPNLKJDRQYEF-UHFFFAOYSA-N
XLogP3.68
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 110396282
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
CID 16590260
2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
CID 110396250
3,3-diphenyl-N-propylpropanamide
CID 4638647
3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide
CID 121177290
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide
CID 110610902
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18142814
2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
CID 110396297
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide (CID 110396269) is N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide is Cn1c(=O)n(CCNC(=O)CC(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide?
The InChIKey is WHBPNLKJDRQYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-27-22-14-8-9-15-23(22)28(25(27)30)17-16-26-24(29)18-21(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,21H,16-18H2,1H3,(H,26,29).
What are the key properties of N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide?
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide has a molecular weight of 399.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 110396269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).