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

C14H18ClN3O3 — CID 106240573

IUPAC2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide
SMILESCOc1cccc2c1nc(CCCl)n2CCOCC(N)=O
InChIInChI=1S/C14H18ClN3O3/c1-20-11-4-2-3-10-14(11)17-13(5-6-15)18(10)7-8-21-9-12(16)19/h2-4H,5-9H2,1H3,(H2,16,19)
InChIKeyISQRATFDSJLKEF-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.33
Rot. Bonds8

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

2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide (PubChem CID 106240573) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide
PubChem CID106240573
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide
SMILESCOc1cccc2c1nc(CCCl)n2CCOCC(N)=O
InChIInChI=1S/C14H18ClN3O3/c1-20-11-4-2-3-10-14(11)17-13(5-6-15)18(10)7-8-21-9-12(16)19/h2-4H,5-9H2,1H3,(H2,16,19)
InChIKeyISQRATFDSJLKEF-UHFFFAOYSA-N
XLogP1.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylbenzimidazol-1-yl]ethoxy]acetamide
CID 106240669
2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide
CID 106240518
2-[2-[2-(2-chloroethyl)-5-iodobenzimidazol-1-yl]ethoxy]acetamide
CID 106240650
2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]-3-methylbutanamide
CID 106346422
2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide
CID 106240102
2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole
CID 113393090
5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide
CID 106240467
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-(chloromethyl)-4-methoxybenzimidazol-1-yl]propanamide
CID 113393109
4-chloro-2-(2-chloroethyl)-1-[2-(3-methylbutoxy)ethyl]benzimidazole
CID 104837980
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-methoxybenzimidazol-1-yl]ethoxy]acetamide?
The IUPAC name of 2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide (CID 106240573) is 2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide?
The canonical SMILES for 2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide is COc1cccc2c1nc(CCCl)n2CCOCC(N)=O.
What is the InChIKey of 2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide?
The InChIKey is ISQRATFDSJLKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-20-11-4-2-3-10-14(11)17-13(5-6-15)18(10)7-8-21-9-12(16)19/h2-4H,5-9H2,1H3,(H2,16,19).
What are the key properties of 2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide?
2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide has a molecular weight of 311.77 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide is sourced from PubChem (CID 106240573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).