N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide

C12H19N3O — CID 116626652

IUPACN-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
SMILESCCNC(=O)Cn1c(C)nc2c1CCCC2
InChIInChI=1S/C12H19N3O/c1-3-13-12(16)8-15-9(2)14-10-6-4-5-7-11(10)15/h3-8H2,1-2H3,(H,13,16)
InChIKeyVKHOBPXMAHGNEQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.21
Rot. Bonds3

About N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide

N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide (PubChem CID 116626652) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
PubChem CID116626652
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
SMILESCCNC(=O)Cn1c(C)nc2c1CCCC2
InChIInChI=1S/C12H19N3O/c1-3-13-12(16)8-15-9(2)14-10-6-4-5-7-11(10)15/h3-8H2,1-2H3,(H,13,16)
InChIKeyVKHOBPXMAHGNEQ-UHFFFAOYSA-N
XLogP1.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-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

N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 116626532
N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 154787329
1-but-2-ynyl-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 115773580
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
N-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]pyrazin-2-amine
CID 103057570
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethylacetamide
CID 81109283
2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 102819887
1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 103857979
1-[(3,5-dimethylphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626608
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol
CID 104753358
2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol
CID 106810123

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The IUPAC name of N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide (CID 116626652) is N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide is CCNC(=O)Cn1c(C)nc2c1CCCC2.
What is the InChIKey of N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The InChIKey is VKHOBPXMAHGNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-13-12(16)8-15-9(2)14-10-6-4-5-7-11(10)15/h3-8H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 116626652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).