2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide

C21H25N3O — CID 955335

IUPAC2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C21H25N3O/c1-16(2)21(25)22-14-12-20-23-18-10-6-7-11-19(18)24(20)15-13-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,25)
InChIKeyQIZFDMOFHFYOSD-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.59
Rot. Bonds7

About 2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide

2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide (PubChem CID 955335) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
PubChem CID955335
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C21H25N3O/c1-16(2)21(25)22-14-12-20-23-18-10-6-7-11-19(18)24(20)15-13-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,25)
InChIKeyQIZFDMOFHFYOSD-UHFFFAOYSA-N
XLogP3.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide (CID 955335) is 2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide is CC(C)C(=O)NCCc1nc2ccccc2n1CCc1ccccc1.
What is the InChIKey of 2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is QIZFDMOFHFYOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16(2)21(25)22-14-12-20-23-18-10-6-7-11-19(18)24(20)15-13-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,25).
What are the key properties of 2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide?
2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 335.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 955335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).