N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide

C10H10ClN3O — CID 146094481

IUPACN-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
SMILESO=C(CCl)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-8-9(3-7)14-6-13-8/h1-3,6H,4-5H2,(H,12,15)(H,13,14)
InChIKeyJOVGQLFEZRGZNN-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.42
Rot. Bonds3

About N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide

N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide (PubChem CID 146094481) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
PubChem CID146094481
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
SMILESO=C(CCl)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-8-9(3-7)14-6-13-8/h1-3,6H,4-5H2,(H,12,15)(H,13,14)
InChIKeyJOVGQLFEZRGZNN-UHFFFAOYSA-N
XLogP1.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.42
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-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
CID 110785506
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
CID 110794693
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide
CID 115156392
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide
CID 115157341
methyl 2-(3H-benzimidazol-5-ylmethylamino)-2-oxoacetate
CID 115142411
1-(3H-benzimidazol-5-ylmethyl)-3-tert-butylurea
CID 110775445
N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
CID 110791317
N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide
CID 110785509
1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea
CID 110775446

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide (CID 146094481) is N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide is O=C(CCl)NCc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide?
The InChIKey is JOVGQLFEZRGZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-8-9(3-7)14-6-13-8/h1-3,6H,4-5H2,(H,12,15)(H,13,14).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide?
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide has a molecular weight of 223.66 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide is sourced from PubChem (CID 146094481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).