2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide

C14H18ClN3O3 — CID 106240518

IUPAC2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide
SMILESCOc1ccc2nc(CCCl)n(CCOCC(N)=O)c2c1
InChIInChI=1S/C14H18ClN3O3/c1-20-10-2-3-11-12(8-10)18(14(17-11)4-5-15)6-7-21-9-13(16)19/h2-3,8H,4-7,9H2,1H3,(H2,16,19)
InChIKeyKBZVFCTWWQRZGD-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.33
Rot. Bonds8

About 2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide

2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide (PubChem CID 106240518) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide
PubChem CID106240518
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide
SMILESCOc1ccc2nc(CCCl)n(CCOCC(N)=O)c2c1
InChIInChI=1S/C14H18ClN3O3/c1-20-10-2-3-11-12(8-10)18(14(17-11)4-5-15)6-7-21-9-13(16)19/h2-3,8H,4-7,9H2,1H3,(H2,16,19)
InChIKeyKBZVFCTWWQRZGD-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)-5-iodobenzimidazol-1-yl]ethoxy]acetamide
CID 106240650
2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide
CID 106240573
2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide
CID 106240669
2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide
CID 106240670
3-[[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-1,2-oxazole
CID 81177780
5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide
CID 106240486
2-[2-(2-chloroethyl)-5,6-dimethoxybenzimidazol-1-yl]acetamide
CID 83008544
3-[[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106407036
2-[2-(2-chloroethyl)-5-iodobenzimidazol-1-yl]ethyl carbamate
CID 83204067
2-(2-chloroethyl)-6-fluoro-1-[2-(3-methylbutoxy)ethyl]benzimidazole
CID 62376014
1-(2-butoxyethyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66082050
2-(chloromethyl)-6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazole
CID 80685753

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide?
The IUPAC name of 2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide (CID 106240518) is 2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide?
The canonical SMILES for 2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide is COc1ccc2nc(CCCl)n(CCOCC(N)=O)c2c1.
What is the InChIKey of 2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide?
The InChIKey is KBZVFCTWWQRZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-20-10-2-3-11-12(8-10)18(14(17-11)4-5-15)6-7-21-9-13(16)19/h2-3,8H,4-7,9H2,1H3,(H2,16,19).
What are the key properties of 2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide?
2-[2-[2-(2-chloroethyl)-6-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)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide is sourced from PubChem (CID 106240518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).