3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide

C20H23N3O — CID 134012965

IUPAC3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc(C(C)NC(=O)CCn2cnc3ccccc32)cc1
InChIInChI=1S/C20H23N3O/c1-3-16-8-10-17(11-9-16)15(2)22-20(24)12-13-23-14-21-18-6-4-5-7-19(18)23/h4-11,14-15H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyLGNJUYYSNXXIBH-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.87
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide

3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide (PubChem CID 134012965) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide
PubChem CID134012965
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc(C(C)NC(=O)CCn2cnc3ccccc32)cc1
InChIInChI=1S/C20H23N3O/c1-3-16-8-10-17(11-9-16)15(2)22-20(24)12-13-23-14-21-18-6-4-5-7-19(18)23/h4-11,14-15H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyLGNJUYYSNXXIBH-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 51189619
propan-2-yl (3R)-3-[3-(benzimidazol-1-yl)propanoylamino]-3-phenylpropanoate
CID 39168946
3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide
CID 122230767
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755480
3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 60554892
N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride
CID 119665891
2-[3-(benzimidazol-1-yl)propanoylamino]-2-methylbutanoic acid
CID 79789545
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid
CID 63914686

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide (CID 134012965) is 3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide is CCc1ccc(C(C)NC(=O)CCn2cnc3ccccc32)cc1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The InChIKey is LGNJUYYSNXXIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-16-8-10-17(11-9-16)15(2)22-20(24)12-13-23-14-21-18-6-4-5-7-19(18)23/h4-11,14-15H,3,12-13H2,1-2H3,(H,22,24).
What are the key properties of 3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide?
3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide has a molecular weight of 321.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide is sourced from PubChem (CID 134012965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).