ethyl 2-(1-propylbenzimidazol-2-yl)propanoate

C15H20N2O2 — CID 79475436

IUPACethyl 2-(1-propylbenzimidazol-2-yl)propanoate
SMILESCCCn1c(C(C)C(=O)OCC)nc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-4-10-17-13-9-7-6-8-12(13)16-14(17)11(3)15(18)19-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyWJEIAQIGEDRXHD-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.11
Rot. Bonds5

About ethyl 2-(1-propylbenzimidazol-2-yl)propanoate

ethyl 2-(1-propylbenzimidazol-2-yl)propanoate (PubChem CID 79475436) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 2-(1-propylbenzimidazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(1-propylbenzimidazol-2-yl)propanoate
PubChem CID79475436
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 2-(1-propylbenzimidazol-2-yl)propanoate
SMILESCCCn1c(C(C)C(=O)OCC)nc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-4-10-17-13-9-7-6-8-12(13)16-14(17)11(3)15(18)19-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyWJEIAQIGEDRXHD-UHFFFAOYSA-N
XLogP3.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate
CID 79475283
1-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 43470294
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 5013260
ethyl 3-methyl-2-(1-methylbenzimidazol-2-yl)butanoate
CID 79474556
ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate
CID 79480772
ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate
CID 83441215
3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol
CID 61228731
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 738052
(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 762129
ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate
CID 79474797

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-propylbenzimidazol-2-yl)propanoate?
The IUPAC name of ethyl 2-(1-propylbenzimidazol-2-yl)propanoate (CID 79475436) is ethyl 2-(1-propylbenzimidazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(1-propylbenzimidazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-(1-propylbenzimidazol-2-yl)propanoate is CCCn1c(C(C)C(=O)OCC)nc2ccccc21.
What is the InChIKey of ethyl 2-(1-propylbenzimidazol-2-yl)propanoate?
The InChIKey is WJEIAQIGEDRXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-10-17-13-9-7-6-8-12(13)16-14(17)11(3)15(18)19-5-2/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of ethyl 2-(1-propylbenzimidazol-2-yl)propanoate?
ethyl 2-(1-propylbenzimidazol-2-yl)propanoate has a molecular weight of 260.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-propylbenzimidazol-2-yl)propanoate is sourced from PubChem (CID 79475436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).