4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide

C26H27N3O — CID 16967208

IUPAC4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCc2ccccc2)cc1
InChIInChI=1S/C26H27N3O/c1-19-14-16-22(17-15-19)26(30)27-20(2)25-28-23-12-6-7-13-24(23)29(25)18-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-17,20H,8,11,18H2,1-2H3,(H,27,30)
InChIKeyADCVHXIBKKPXON-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.47
Rot. Bonds7

About 4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide

4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16967208) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16967208
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCc2ccccc2)cc1
InChIInChI=1S/C26H27N3O/c1-19-14-16-22(17-15-19)26(30)27-20(2)25-28-23-12-6-7-13-24(23)29(25)18-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-17,20H,8,11,18H2,1-2H3,(H,27,30)
InChIKeyADCVHXIBKKPXON-UHFFFAOYSA-N
XLogP5.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967236
N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 25339903
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967274
2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969046
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967268
2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969198
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967207
N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965407
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984294
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide (CID 16967208) is 4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide is Cc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is ADCVHXIBKKPXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-19-14-16-22(17-15-19)26(30)27-20(2)25-28-23-12-6-7-13-24(23)29(25)18-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-17,20H,8,11,18H2,1-2H3,(H,27,30).
What are the key properties of 4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide?
4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 397.52 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16967208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).