2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide

C19H17ClN4O2 — CID 3543625

IUPAC2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H17ClN4O2/c20-14-6-8-15(9-7-14)26-13-18-23-16-4-1-2-5-17(16)24(18)12-19(25)22-11-3-10-21/h1-2,4-9H,3,11-13H2,(H,22,25)
InChIKeyMCXXFOAIVLFMPH-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.30
Rot. Bonds7

About 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide (PubChem CID 3543625) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide
PubChem CID3543625
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H17ClN4O2/c20-14-6-8-15(9-7-14)26-13-18-23-16-4-1-2-5-17(16)24(18)12-19(25)22-11-3-10-21/h1-2,4-9H,3,11-13H2,(H,22,25)
InChIKeyMCXXFOAIVLFMPH-UHFFFAOYSA-N
XLogP3.30
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenoxy)methyl]-1H-1,3-benzodiazole
CID 393988
(2s)-2-{2-[(4-Chloro-2-Methylphenoxy)methyl]-6-Fluoro-1h-Benzimidazol-1-Yl}-N,2-Dicyclohexylacetamide
CID 42605698
2-(phenoxymethyl)-1-propyl-1H-benzimidazole
CID 921242
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 2066617
2-(4-chlorophenoxy)-N-{1-methyl-2-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-5-yl}acetamide
CID 666438
2-(Phenoxymethyl)-1-prop-2-enylbenzimidazole
CID 716444
1-[2-(4-Chloro-phenoxy)-ethyl]-1H-benzoimidazol-2-ylamine
CID 761923
N-{2-[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]ethyl}acetamide
CID 2989208
1-Ethyl-2-phenoxymethyl-1H-benzoimidazole
CID 709590
2-((4-chlorophenoxy)methyl)-1-phenethyl-1H-benzo[d]imidazole
CID 1260808
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide
CID 721475
1-[2-(4-chlorophenoxy)ethyl]-1H-benzimidazole
CID 803004

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide (CID 3543625) is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide is N#CCCNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide?
The InChIKey is MCXXFOAIVLFMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-14-6-8-15(9-7-14)26-13-18-23-16-4-1-2-5-17(16)24(18)12-19(25)22-11-3-10-21/h1-2,4-9H,3,11-13H2,(H,22,25).
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide?
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide has a molecular weight of 368.82 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 3543625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).