2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide

C16H14ClN3O3 — CID 110721724

IUPAC2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide
SMILESCn1c(=O)[nH]c2cc(NC(=O)COc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C16H14ClN3O3/c1-20-14-7-4-11(8-13(14)19-16(20)22)18-15(21)9-23-12-5-2-10(17)3-6-12/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyXBYYSCCTKMXGEK-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.54
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide

2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide (PubChem CID 110721724) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide
PubChem CID110721724
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide
SMILESCn1c(=O)[nH]c2cc(NC(=O)COc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C16H14ClN3O3/c1-20-14-7-4-11(8-13(14)19-16(20)22)18-15(21)9-23-12-5-2-10(17)3-6-12/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyXBYYSCCTKMXGEK-UHFFFAOYSA-N
XLogP2.54
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide
CID 110721809
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422
4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721732
2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide
CID 22577335
3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide
CID 110721787
2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 112778728
2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 49169219
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110721777
4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721833
3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721708
2-(4-chlorophenoxy)-N-[4-(2-methoxyethylamino)phenyl]acetamide
CID 112980930
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide (CID 110721724) is 2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide is Cn1c(=O)[nH]c2cc(NC(=O)COc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide?
The InChIKey is XBYYSCCTKMXGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-20-14-7-4-11(8-13(14)19-16(20)22)18-15(21)9-23-12-5-2-10(17)3-6-12/h2-8H,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide?
2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide has a molecular weight of 331.76 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 110721724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).