5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one

C18H19N3O4 — CID 110743499

IUPAC5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one
SMILESCOc1ccc(CC(=O)n2c(=O)n(C)c3ccc(N)cc32)cc1OC
InChIInChI=1S/C18H19N3O4/c1-20-13-6-5-12(19)10-14(13)21(18(20)23)17(22)9-11-4-7-15(24-2)16(8-11)25-3/h4-8,10H,9,19H2,1-3H3
InChIKeyBVUBQRLCHOHGAG-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.82
Rot. Bonds4

About 5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one

5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one (PubChem CID 110743499) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one
PubChem CID110743499
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one
SMILESCOc1ccc(CC(=O)n2c(=O)n(C)c3ccc(N)cc32)cc1OC
InChIInChI=1S/C18H19N3O4/c1-20-13-6-5-12(19)10-14(13)21(18(20)23)17(22)9-11-4-7-15(24-2)16(8-11)25-3/h4-8,10H,9,19H2,1-3H3
InChIKeyBVUBQRLCHOHGAG-UHFFFAOYSA-N
XLogP1.82
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
5-tert-butyl-3-[2-(3,4-dimethoxyphenyl)acetyl]-1,3-benzoxazol-2-one
CID 20965422
2-(3,4-dimethoxyphenyl)-1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 4048681
2-(3,4-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3373584
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 110741082
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 3302099
N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 28867944
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone;hydrochloride
CID 120806090
ethyl 4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808927
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 49295966
5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one
CID 110724068

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one?
The IUPAC name of 5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one (CID 110743499) is 5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one.
What is the SMILES notation for 5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one?
The canonical SMILES for 5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one is COc1ccc(CC(=O)n2c(=O)n(C)c3ccc(N)cc32)cc1OC.
What is the InChIKey of 5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one?
The InChIKey is BVUBQRLCHOHGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-20-13-6-5-12(19)10-14(13)21(18(20)23)17(22)9-11-4-7-15(24-2)16(8-11)25-3/h4-8,10H,9,19H2,1-3H3.
What are the key properties of 5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one?
5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one has a molecular weight of 341.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methylbenzimidazol-2-one is sourced from PubChem (CID 110743499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).