2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide

C20H18ClN3O2 — CID 16978766

IUPAC2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide
SMILESC#CCn1c(CCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H18ClN3O2/c1-2-13-24-18-6-4-3-5-17(18)23-19(24)11-12-22-20(25)14-26-16-9-7-15(21)8-10-16/h1,3-10H,11-14H2,(H,22,25)
InChIKeyDKWKBDHXTZEKPU-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.06
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 16978766) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID16978766
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide
SMILESC#CCn1c(CCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H18ClN3O2/c1-2-13-24-18-6-4-3-5-17(18)23-19(24)11-12-22-20(25)14-26-16-9-7-15(21)8-10-16/h1,3-10H,11-14H2,(H,22,25)
InChIKeyDKWKBDHXTZEKPU-UHFFFAOYSA-N
XLogP3.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]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-(4-chlorophenoxy)-N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978882
2-(4-chlorophenoxy)-N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978821
2-(4-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760
2-[2-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16978893
2-(4-chlorophenoxy)-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978810
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide
CID 16978794
2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 16986374
2-(4-chlorophenoxy)-N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993186
N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986364
2-(4-chlorophenoxy)-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986501
2-[2-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 16986503
N-[2-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide
CID 16978852

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide (CID 16978766) is 2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide is C#CCn1c(CCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is DKWKBDHXTZEKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-2-13-24-18-6-4-3-5-17(18)23-19(24)11-12-22-20(25)14-26-16-9-7-15(21)8-10-16/h1,3-10H,11-14H2,(H,22,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 367.84 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 16978766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).