2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide

C14H18ClN3O2 — CID 106240491

IUPAC2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide
SMILESCc1ccc2c(c1)nc(C(C)Cl)n2CCOCC(N)=O
InChIInChI=1S/C14H18ClN3O2/c1-9-3-4-12-11(7-9)17-14(10(2)15)18(12)5-6-20-8-13(16)19/h3-4,7,10H,5-6,8H2,1-2H3,(H2,16,19)
InChIKeyYGIGCJRYKQKUOF-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.15
Rot. Bonds6

About 2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide

2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide (PubChem CID 106240491) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide
PubChem CID106240491
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide
SMILESCc1ccc2c(c1)nc(C(C)Cl)n2CCOCC(N)=O
InChIInChI=1S/C14H18ClN3O2/c1-9-3-4-12-11(7-9)17-14(10(2)15)18(12)5-6-20-8-13(16)19/h3-4,7,10H,5-6,8H2,1-2H3,(H2,16,19)
InChIKeyYGIGCJRYKQKUOF-UHFFFAOYSA-N
XLogP2.15
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.15
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-(1-chloroethyl)-5-iodobenzimidazol-1-yl]ethoxy]acetamide
CID 106240496
4-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]butanamide
CID 60863978
2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide
CID 106240243
2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide
CID 106240505
2-(1-chloroethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63958886
5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240379
4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60862901
4-[2-(1-aminoethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333004
4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide
CID 60863436
N-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethyl]methanesulfonamide
CID 43667671
4-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863620
2-[2-(1-chloroethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl carbamate
CID 103593935

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide?
The IUPAC name of 2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide (CID 106240491) is 2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide?
The canonical SMILES for 2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide is Cc1ccc2c(c1)nc(C(C)Cl)n2CCOCC(N)=O.
What is the InChIKey of 2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide?
The InChIKey is YGIGCJRYKQKUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-9-3-4-12-11(7-9)17-14(10(2)15)18(12)5-6-20-8-13(16)19/h3-4,7,10H,5-6,8H2,1-2H3,(H2,16,19).
What are the key properties of 2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide?
2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide has a molecular weight of 295.77 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide is sourced from PubChem (CID 106240491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).