2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

C19H21N3O4 — CID 46604605

IUPAC2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(C)n2cnc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C19H21N3O4/c1-12(22-11-20-14-7-5-6-8-15(14)22)19(23)21-13-9-16(24-2)18(26-4)17(10-13)25-3/h5-12H,1-4H3,(H,21,23)
InChIKeyDFMGGAJIUQUJJK-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.26
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 46604605) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID46604605
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(C)n2cnc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C19H21N3O4/c1-12(22-11-20-14-7-5-6-8-15(14)22)19(23)21-13-9-16(24-2)18(26-4)17(10-13)25-3/h5-12H,1-4H3,(H,21,23)
InChIKeyDFMGGAJIUQUJJK-UHFFFAOYSA-N
XLogP3.26
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(benzimidazol-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 39047094
2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 83092147
(2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 39036581
2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide
CID 46604692
(2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide
CID 97249332
N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46429428
(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 39059697
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
CID 42893030
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 42959453
N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
methyl 6-[2-(benzimidazol-1-yl)propanoylamino]hexanoate
CID 46429398

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 46604605) is 2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)C(C)n2cnc3ccccc32)cc(OC)c1OC.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is DFMGGAJIUQUJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12(22-11-20-14-7-5-6-8-15(14)22)19(23)21-13-9-16(24-2)18(26-4)17(10-13)25-3/h5-12H,1-4H3,(H,21,23).
What are the key properties of 2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 355.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 46604605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).