2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

C11H12ClN3O2 — CID 1096383

IUPAC2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CCl)ccc21
InChIInChI=1S/C11H12ClN3O2/c1-14-8-4-3-7(13-10(16)6-12)5-9(8)15(2)11(14)17/h3-5H,6H2,1-2H3,(H,13,16)
InChIKeyPHEYITKTECGDDX-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.05
Rot. Bonds2

About 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (PubChem CID 1096383) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
PubChem CID1096383
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CCl)ccc21
InChIInChI=1S/C11H12ClN3O2/c1-14-8-4-3-7(13-10(16)6-12)5-9(8)15(2)11(14)17/h3-5H,6H2,1-2H3,(H,13,16)
InChIKeyPHEYITKTECGDDX-UHFFFAOYSA-N
XLogP1.05
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(Acetoacetylamino)benzimidazolone
CID 117822
1-Ebio
CID 82320
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 779710
1-(3-chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 1810419
1-butyl-1,3-dihydro-2H-benzimidazol-2-one
CID 1734838
5-Amino-1,3-diethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride
CID 2983395
N-(3-(3-(4-(bis(2-chloroethyl)amino)phenyl)ureido)-phenyl)-2-(pyrrolidin-1-yl)acetamide
CID 86689960
2,2,2-Trifluoro-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
CID 590731
2-(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-N-propylacetamide
CID 2001019
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,2,2-trifluoroacetamide
CID 649424
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
CID 973024

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (CID 1096383) is 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is Cn1c(=O)n(C)c2cc(NC(=O)CCl)ccc21.
What is the InChIKey of 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The InChIKey is PHEYITKTECGDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-14-8-4-3-7(13-10(16)6-12)5-9(8)15(2)11(14)17/h3-5H,6H2,1-2H3,(H,13,16).
What are the key properties of 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide has a molecular weight of 253.69 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 1096383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).