N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C20H23N3O2 — CID 18134876

IUPACN-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C20H23N3O2/c1-3-22(15-16-9-5-4-6-10-16)19(24)13-14-23-18-12-8-7-11-17(18)21(2)20(23)25/h4-12H,3,13-15H2,1-2H3
InChIKeyZRAXQPXMXPILBZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.78
Rot. Bonds6

About N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 18134876) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID18134876
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C20H23N3O2/c1-3-22(15-16-9-5-4-6-10-16)19(24)13-14-23-18-12-8-7-11-17(18)21(2)20(23)25/h4-12H,3,13-15H2,1-2H3
InChIKeyZRAXQPXMXPILBZ-UHFFFAOYSA-N
XLogP2.78
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18169326
N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide
CID 18116161
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
CID 24603426
N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide
CID 38719285
N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide
CID 42896336
N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 109022884
N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16596462
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
CID 16590260
ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate
CID 109022893
N-benzyl-3-[(5E)-5-[3-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-ethylpropanamide
CID 6387732

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 18134876) is N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is CCN(Cc1ccccc1)C(=O)CCn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is ZRAXQPXMXPILBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-22(15-16-9-5-4-6-10-16)19(24)13-14-23-18-12-8-7-11-17(18)21(2)20(23)25/h4-12H,3,13-15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 18134876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).