ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate

C16H24N2O2 — CID 21322159

IUPACethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate
SMILESCCCCCN1CN(CC(=O)OCC)c2ccccc21
InChIInChI=1S/C16H24N2O2/c1-3-5-8-11-17-13-18(12-16(19)20-4-2)15-10-7-6-9-14(15)17/h6-7,9-10H,3-5,8,11-13H2,1-2H3
InChIKeyGBOGAQATVIIIIX-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.02
Rot. Bonds7

About ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate

ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate (PubChem CID 21322159) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate
PubChem CID21322159
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate
SMILESCCCCCN1CN(CC(=O)OCC)c2ccccc21
InChIInChI=1S/C16H24N2O2/c1-3-5-8-11-17-13-18(12-16(19)20-4-2)15-10-7-6-9-14(15)17/h6-7,9-10H,3-5,8,11-13H2,1-2H3
InChIKeyGBOGAQATVIIIIX-UHFFFAOYSA-N
XLogP3.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate
CID 88797368
1-methyl-3-nonyl-2H-benzimidazole
CID 138678028
CID 174524249
CID 174524249
ethyl 3-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)propanoate
CID 142874027
1-(4-chlorobutyl)-3-ethyl-2H-benzimidazole
CID 174253153
ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride
CID 134088083
ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate
CID 54377725
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
CID 79937200
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
ethyl 2-[(2E)-2-[1-(2-ethoxy-2-oxoethyl)-3-oxoindol-2-ylidene]-3-oxoindol-1-yl]acetate
CID 178001769

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate?
The IUPAC name of ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate (CID 21322159) is ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate is CCCCCN1CN(CC(=O)OCC)c2ccccc21.
What is the InChIKey of ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate?
The InChIKey is GBOGAQATVIIIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-5-8-11-17-13-18(12-16(19)20-4-2)15-10-7-6-9-14(15)17/h6-7,9-10H,3-5,8,11-13H2,1-2H3.
What are the key properties of ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate?
ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate has a molecular weight of 276.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate is sourced from PubChem (CID 21322159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).