N,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

C14H19N3O2 — CID 946369

IUPACN,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C14H19N3O2/c1-4-16(5-2)13(18)10-17-12-9-7-6-8-11(12)15(3)14(17)19/h6-9H,4-5,10H2,1-3H3
InChIKeySTFHZBFLWBFZSF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.21
Rot. Bonds4

About N,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

N,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 946369) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID946369
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C14H19N3O2/c1-4-16(5-2)13(18)10-17-12-9-7-6-8-11(12)15(3)14(17)19/h6-9H,4-5,10H2,1-3H3
InChIKeySTFHZBFLWBFZSF-UHFFFAOYSA-N
XLogP1.21
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ebio
CID 82320
3-Phenylimidazolidine-2,4-dione
CID 227930
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
Phenylacetylglycine Dimethylamide
CID 19536
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 231553
1-Phenylimidazolidine-2,4-dione
CID 570576
2-(3-(carboxymethyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid
CID 228472
1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 1653580
1,3-Dihydro-1-(1-methylvinyl)-2H-benzimidazol-2-one
CID 100278
(S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-isopentyl-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44576654
1-[4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl]-3-propylbenzimidazol-2-one
CID 58511930

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 946369) is N,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is CCN(CC)C(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is STFHZBFLWBFZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-16(5-2)13(18)10-17-12-9-7-6-8-11(12)15(3)14(17)19/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 946369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).