2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide

C14H18ClN3O2 — CID 106240669

IUPAC2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide
SMILESCc1cccc2c1nc(CCCl)n2CCOCC(N)=O
InChIInChI=1S/C14H18ClN3O2/c1-10-3-2-4-11-14(10)17-13(5-6-15)18(11)7-8-20-9-12(16)19/h2-4H,5-9H2,1H3,(H2,16,19)
InChIKeyUUWIPXVFYJKCEZ-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.63
Rot. Bonds7

About 2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide

2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide (PubChem CID 106240669) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide
PubChem CID106240669
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide
SMILESCc1cccc2c1nc(CCCl)n2CCOCC(N)=O
InChIInChI=1S/C14H18ClN3O2/c1-10-3-2-4-11-14(10)17-13(5-6-15)18(11)7-8-20-9-12(16)19/h2-4H,5-9H2,1H3,(H2,16,19)
InChIKeyUUWIPXVFYJKCEZ-UHFFFAOYSA-N
XLogP1.63
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide
CID 106240573
5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide
CID 106240467
2-[2-[2-(2-chloroethyl)-5-iodobenzimidazol-1-yl]ethoxy]acetamide
CID 106240650
2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide
CID 106240518
3-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]butanamide
CID 114041868
2-(2-chloroethyl)-4-methyl-1-(3-methylsulfinylpropyl)benzimidazole
CID 114041859
3-[4-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
CID 104837684
1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 106240755
2-(2-chloroethyl)-4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole
CID 106432078
4-chloro-2-(2-chloroethyl)-1-[2-(3-methylbutoxy)ethyl]benzimidazole
CID 104837980
2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide
CID 106240102
2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide
CID 106240670

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide?
The IUPAC name of 2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide (CID 106240669) is 2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide?
The canonical SMILES for 2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide is Cc1cccc2c1nc(CCCl)n2CCOCC(N)=O.
What is the InChIKey of 2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide?
The InChIKey is UUWIPXVFYJKCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-10-3-2-4-11-14(10)17-13(5-6-15)18(11)7-8-20-9-12(16)19/h2-4H,5-9H2,1H3,(H2,16,19).
What are the key properties of 2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide?
2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide has a molecular weight of 295.77 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide is sourced from PubChem (CID 106240669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).