2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

C17H16ClN3O3 — CID 6491422

IUPAC2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C17H16ClN3O3/c1-20-14-8-5-12(9-15(14)21(2)17(20)23)19-16(22)10-24-13-6-3-11(18)4-7-13/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyBPQOFMLBBBFSAC-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.55
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (PubChem CID 6491422) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
PubChem CID6491422
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C17H16ClN3O3/c1-20-14-8-5-12(9-15(14)21(2)17(20)23)19-16(22)10-24-13-6-3-11(18)4-7-13/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyBPQOFMLBBBFSAC-UHFFFAOYSA-N
XLogP2.55
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 49169219
2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide
CID 110721724
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 6458101
3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
CID 49169432
2-(4-chlorophenoxy)-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide
CID 666438
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328431
4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 112774949
2-(4-chlorophenoxy)-N-(3-iodophenyl)acetamide
CID 7738324
2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide
CID 16826909
2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide
CID 22577335

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (CID 6491422) is 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is Cn1c(=O)n(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The InChIKey is BPQOFMLBBBFSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-20-14-8-5-12(9-15(14)21(2)17(20)23)19-16(22)10-24-13-6-3-11(18)4-7-13/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide has a molecular weight of 345.79 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 6491422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).