2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide

C13H16ClN3O — CID 115162214

IUPAC2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide
SMILESCc1nc2ccc(CCN(C)C(=O)CCl)cc2[nH]1
InChIInChI=1S/C13H16ClN3O/c1-9-15-11-4-3-10(7-12(11)16-9)5-6-17(2)13(18)8-14/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyVMINUTALIDMUAF-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.11
Rot. Bonds4

About 2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide

2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide (PubChem CID 115162214) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide
PubChem CID115162214
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide
SMILESCc1nc2ccc(CCN(C)C(=O)CCl)cc2[nH]1
InChIInChI=1S/C13H16ClN3O/c1-9-15-11-4-3-10(7-12(11)16-9)5-6-17(2)13(18)8-14/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyVMINUTALIDMUAF-UHFFFAOYSA-N
XLogP2.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]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

3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 115153098
2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 115162212
2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115161938
methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate
CID 115233172
2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]ethanethiol
CID 115224402
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791460
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide
CID 116846538

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide (CID 115162214) is 2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide is Cc1nc2ccc(CCN(C)C(=O)CCl)cc2[nH]1.
What is the InChIKey of 2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide?
The InChIKey is VMINUTALIDMUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9-15-11-4-3-10(7-12(11)16-9)5-6-17(2)13(18)8-14/h3-4,7H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide?
2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide has a molecular weight of 265.74 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 115162214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).