hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate

C16H23N3O2 — CID 82359428

IUPAChexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
SMILESCCCCCCOC(=O)Cn1c(NC)nc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-3-4-5-8-11-21-15(20)12-19-14-10-7-6-9-13(14)18-16(19)17-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,17,18)
InChIKeyDBEVSPBKNRTICZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.20
Rot. Bonds8

About hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate

hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate (PubChem CID 82359428) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namehexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
PubChem CID82359428
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Namehexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
SMILESCCCCCCOC(=O)Cn1c(NC)nc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-3-4-5-8-11-21-15(20)12-19-14-10-7-6-9-13(14)18-16(19)17-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,17,18)
InChIKeyDBEVSPBKNRTICZ-UHFFFAOYSA-N
XLogP3.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
CID 10376688
butyl 2-[2-(2-amino-2-sulfanylideneethyl)benzimidazol-1-yl]acetate
CID 63638778
butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate
CID 3488206
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 82359384
hexyl 1-methylbenzimidazole-2-carboxylate
CID 135058343
(1-pentylbenzimidazol-2-yl)hydrazine
CID 4136867
2-propoxyethyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 82161929
4-[2-(methylamino)benzimidazol-1-yl]butan-2-one
CID 82359502
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol
CID 82359483
octadecyl benzotriazole-1-carboxylate
CID 174727674

Frequently Asked Questions

What is the IUPAC name of hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate?
The IUPAC name of hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate (CID 82359428) is hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate.
What is the SMILES notation for hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate?
The canonical SMILES for hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate is CCCCCCOC(=O)Cn1c(NC)nc2ccccc21.
What is the InChIKey of hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate?
The InChIKey is DBEVSPBKNRTICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-4-5-8-11-21-15(20)12-19-14-10-7-6-9-13(14)18-16(19)17-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,17,18).
What are the key properties of hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate?
hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate has a molecular weight of 289.38 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate is sourced from PubChem (CID 82359428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).