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

C11H12ClN3O — CID 115161938

IUPAC2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(N(C)C(=O)CCl)cc2[nH]1
InChIInChI=1S/C11H12ClN3O/c1-7-13-9-4-3-8(5-10(9)14-7)15(2)11(16)6-12/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyABPDIMNFIKTSIH-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.07
Rot. Bonds2

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

2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 115161938) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
PubChem CID115161938
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(N(C)C(=O)CCl)cc2[nH]1
InChIInChI=1S/C11H12ClN3O/c1-7-13-9-4-3-8(5-10(9)14-7)15(2)11(16)6-12/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyABPDIMNFIKTSIH-UHFFFAOYSA-N
XLogP2.07
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 82493565
2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid
CID 115141265
2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115190207
2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide
CID 115162214
3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
CID 110869413
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide
CID 115159459
3-methyl-3-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]butanoic acid
CID 117042372
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110866873
N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine
CID 82493713
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
N-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide
CID 82498230
N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide
CID 82093740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide (CID 115161938) is 2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide is Cc1nc2ccc(N(C)C(=O)CCl)cc2[nH]1.
What is the InChIKey of 2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is ABPDIMNFIKTSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-7-13-9-4-3-8(5-10(9)14-7)15(2)11(16)6-12/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 237.69 g/mol, XLogP of 2.07, 2 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-methyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 115161938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).