2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide

C12H14ClN3O2 — CID 115162212

IUPAC2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
SMILESCN(CCc1ccc2[nH]c(=O)[nH]c2c1)C(=O)CCl
InChIInChI=1S/C12H14ClN3O2/c1-16(11(17)7-13)5-4-8-2-3-9-10(6-8)15-12(18)14-9/h2-3,6H,4-5,7H2,1H3,(H2,14,15,18)
InChIKeyZRQLRDGDEHBYFX-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.10
Rot. Bonds4

About 2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide

2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide (PubChem CID 115162212) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
PubChem CID115162212
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
SMILESCN(CCc1ccc2[nH]c(=O)[nH]c2c1)C(=O)CCl
InChIInChI=1S/C12H14ClN3O2/c1-16(11(17)7-13)5-4-8-2-3-9-10(6-8)15-12(18)14-9/h2-3,6H,4-5,7H2,1H3,(H2,14,15,18)
InChIKeyZRQLRDGDEHBYFX-UHFFFAOYSA-N
XLogP1.10
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide
CID 115162214
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 111663080
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
methyl-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyanamide
CID 117043544
2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide
CID 115162206
5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115199666
5-(4-chlorobutyl)-1,3-dihydrobenzimidazol-2-one
CID 87983574
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692316
5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115236618
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227
N-methyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-pyrrolidin-3-ylbutanamide
CID 119553466

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide (CID 115162212) is 2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide is CN(CCc1ccc2[nH]c(=O)[nH]c2c1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide?
The InChIKey is ZRQLRDGDEHBYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-16(11(17)7-13)5-4-8-2-3-9-10(6-8)15-12(18)14-9/h2-3,6H,4-5,7H2,1H3,(H2,14,15,18).
What are the key properties of 2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide?
2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide has a molecular weight of 267.72 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 115162212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).